AAN

2-(4-NITROPHENYL)ACETIC ACID

Created:	1999-07-08
Last modified:	2011-06-04

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1 entries where AAN is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	20
Chiral Atom Count	0
Bond Count	20
Aromatic Bond Count	6

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Chemical Component Summary
Name	2-(4-NITROPHENYL)ACETIC ACID
Systematic Name (OpenEye OEToolkits)	2-(4-nitrophenyl)ethanoic acid
Formula	C₈ H₇ N O₄
Molecular Weight	181.145
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(O)Cc1ccc(cc1)[N+]([O-])=O
SMILES	CACTVS	3.341	OC(=O)Cc1ccc(cc1)[N+]([O-])=O
SMILES	OpenEye OEToolkits	1.5.0	c1cc(ccc1CC(=O)O)[N+](=O)[O-]
Canonical SMILES	CACTVS	3.341	OC(=O)Cc1ccc(cc1)[N+]([O-])=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1cc(ccc1CC(=O)O)[N+](=O)[O-]
InChI	InChI	1.03	InChI=1S/C8H7NO4/c10-8(11)5-6-1-3-7(4-2-6)9(12)13/h1-4H,5H2,(H,10,11)
InChIKey	InChI	1.03	YBADLXQNJCMBKR-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License

DrugBank ID	DB07331
Name	p-Nitrophenylacetic acid
Groups	experimental
Synonyms	4-nitrophenylacetic acid 2-(p-nitrophenyl)acetic acid p-Nitrophenylacetic acid 4-nitrobenzeneacetic acid (4-nitrophenyl)acetic acid
Categories	Acids, Carbocyclic
CAS number	104-03-0

Drug Targets

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License

Name	Target Sequence	Pharmacological Action	Actions
Penicillin G acylase	MKNRNRMIVNCVTASLMYYWSLPALAEQSSSEIKIVRDEYGMPHIYANDT...	unknown

Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682