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

Systemtic Name: 4-[[5-aminocarbonyl-6-[(4-carboxyphenyl)amino]-4-methyl-3-(methyldiazenyl)pyridin-2-yl]amino]benzoic acid Openeye Name: 4-[[5-carbamoyl-6-(4-carboxyanilino)-4-methyl-3-methylazo-2-pyridyl]amino]benzoic acid CAS Name: 4-[[5-carbamoyl-6-(4-carboxyanilino)-4-methyl-3-methylazo-2-pyridinyl]amino]benzoic acid IUPAC Name: 4-[[5-carbamoyl-6-(4-carboxyanilino)-4-methyl-3-(methyldiazenyl)pyridin-2-yl]amino]benzoic acid Traditional Name: 4-[[5-carbamoyl-6-(4-carboxyanilino)-4-methyl-3-methylazo-2-pyridyl]amino]benzoic acid Formula: C22H20N6O5 MolecularWeight: 448.4314

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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(=O)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(=O)N

InChI

InChI=1S/C22H20N6O5/c1-11-16(18(23)29)19(25-14-7-3-12(4-8-14)21(30)31)27-20(17(11)28-24-2)26-15-9-5-13(6-10-15)22(32)33/h3-10H,1-2H3,(H2,23,29)(H,30,31)(H,32,33)(H2,25,26,27)