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

Systemtic Name: 4-[[6-[(4-carboxyphenyl)amino]-3-cyano-4,5-dimethyl-pyridin-2-yl]amino]benzoic acid Openeye Name: 4-[[6-(4-carboxyanilino)-3-cyano-4,5-dimethyl-2-pyridyl]amino]benzoic acid CAS Name: 4-[[6-(4-carboxyanilino)-3-cyano-4,5-dimethyl-2-pyridinyl]amino]benzoic acid IUPAC Name: 4-[[6-(4-carboxyanilino)-3-cyano-4,5-dimethylpyridin-2-yl]amino]benzoic acid Traditional Name: 4-[[6-(4-carboxyanilino)-3-cyano-4,5-dimethyl-2-pyridyl]amino]benzoic acid Formula: C22H18N4O4 MolecularWeight: 402.40272

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=C1C)NC2=CC=C(C=C2)C(=O)O)NC3=CC=C(C=C3)C(=O)O)C#N

Isomeric SMILES

CC1=C(C(=NC(=C1C)NC2=CC=C(C=C2)C(=O)O)NC3=CC=C(C=C3)C(=O)O)C#N

InChI

InChI=1S/C22H18N4O4/c1-12-13(2)19(24-16-7-3-14(4-8-16)21(27)28)26-20(18(12)11-23)25-17-9-5-15(6-10-17)22(29)30/h3-10H,1-2H3,(H,27,28)(H,29,30)(H2,24,25,26)