NL8
~{N}-(4-aminocarbonylphenyl)-~{N}-methyl-2,4-bis(oxidanyl)benzamide
Created: | 2019-12-06 |
Last modified: | 2020-10-14 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 35 |
Chiral Atom Count | 0 |
Bond Count | 36 |
Aromatic Bond Count | 12 |
Chemical Component Summary | |
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Name | ~{N}-(4-aminocarbonylphenyl)-~{N}-methyl-2,4-bis(oxidanyl)benzamide |
Systematic Name (OpenEye OEToolkits) | ~{N}-(4-aminocarbonylphenyl)-~{N}-methyl-2,4-bis(oxidanyl)benzamide |
Formula | C15 H14 N2 O4 |
Molecular Weight | 286.283 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | CACTVS | 3.385 | CN(C(=O)c1ccc(O)cc1O)c2ccc(cc2)C(N)=O |
SMILES | OpenEye OEToolkits | 2.0.7 | CN(c1ccc(cc1)C(=O)N)C(=O)c2ccc(cc2O)O |
Canonical SMILES | CACTVS | 3.385 | CN(C(=O)c1ccc(O)cc1O)c2ccc(cc2)C(N)=O |
Canonical SMILES | OpenEye OEToolkits | 2.0.7 | CN(c1ccc(cc1)C(=O)N)C(=O)c2ccc(cc2O)O |
InChI | InChI | 1.03 | InChI=1S/C15H14N2O4/c1-17(10-4-2-9(3-5-10)14(16)20)15(21)12-7-6-11(18)8-13(12)19/h2-8,18-19H,1H3,(H2,16,20) |
InChIKey | InChI | 1.03 | BCONCFRKDGKCRJ-UHFFFAOYSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 155488702 |