BNY

2-[(2-methyl-3-nitrophenyl)amino]benzoic acid

Created:	2017-08-17
Last modified:	2018-03-21

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2 entries where BNY is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	32
Chiral Atom Count	0
Bond Count	33
Aromatic Bond Count	12

2D diagram of BNY

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Chemical Component Summary
Name	2-[(2-methyl-3-nitrophenyl)amino]benzoic acid
Systematic Name (OpenEye OEToolkits)	2-[(2-methyl-3-nitro-phenyl)amino]benzoic acid
Formula	C₁₄ H₁₂ N₂ O₄
Molecular Weight	272.256
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(c2ccccc2Nc1c(c(N(=O)=O)ccc1)C)O
SMILES	CACTVS	3.385	Cc1c(Nc2ccccc2C(O)=O)cccc1[N](=O)=O
SMILES	OpenEye OEToolkits	2.0.6	Cc1c(cccc1N(=O)=O)Nc2ccccc2C(=O)O
Canonical SMILES	CACTVS	3.385	Cc1c(Nc2ccccc2C(O)=O)cccc1[N](=O)=O
Canonical SMILES	OpenEye OEToolkits	2.0.6	Cc1c(cccc1N(=O)=O)Nc2ccccc2C(=O)O
InChI	InChI	1.03	InChI=1S/C14H12N2O4/c1-9-11(7-4-8-13(9)16(19)20)15-12-6-3-2-5-10(12)14(17)18/h2-8,15H,1H3,(H,17,18)
InChIKey	InChI	1.03	HDSHJLYBOCCRCF-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	12339909

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