4-[[6-[(4-carboxyphenyl)amino]-5-cyano-4-methyl-3-(methyldiazenyl)pyridin-2-yl]amino]benzoic acid

Systemtic Name: 4-[[6-[(4-carboxyphenyl)amino]-5-cyano-4-methyl-3-(methyldiazenyl)pyridin-2-yl]amino]benzoic acid Openeye Name: 4-[[6-(4-carboxyanilino)-5-cyano-4-methyl-3-methylazo-2-pyridyl]amino]benzoic acid CAS Name: 4-[[6-(4-carboxyanilino)-5-cyano-4-methyl-3-methylazo-2-pyridinyl]amino]benzoic acid IUPAC Name: 4-[[6-(4-carboxyanilino)-5-cyano-4-methyl-3-(methyldiazenyl)pyridin-2-yl]amino]benzoic acid Traditional Name: 4-[[6-(4-carboxyanilino)-5-cyano-4-methyl-3-methylazo-2-pyridyl]amino]benzoic acid Formula: C22H18N6O4 MolecularWeight: 430.41612

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=C1N=NC)NC2=CC=C(C=C2)C(=O)O)NC3=CC=C(C=C3)C(=O)O)C#N

Isomeric SMILES

CC1=C(C(=NC(=C1N=NC)NC2=CC=C(C=C2)C(=O)O)NC3=CC=C(C=C3)C(=O)O)C#N

InChI

InChI=1S/C22H18N6O4/c1-12-17(11-23)19(25-15-7-3-13(4-8-15)21(29)30)27-20(18(12)28-24-2)26-16-9-5-14(6-10-16)22(31)32/h3-10H,1-2H3,(H,29,30)(H,31,32)(H2,25,26,27)