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

Systemtic Name: 4-[[6-[(4-carboxyphenyl)amino]-4-methyl-5-(methyldiazenyl)pyridin-2-yl]amino]benzoic acid Openeye Name: 4-[[6-(4-carboxyanilino)-4-methyl-5-methylazo-2-pyridyl]amino]benzoic acid CAS Name: 4-[[6-(4-carboxyanilino)-4-methyl-5-methylazo-2-pyridinyl]amino]benzoic acid IUPAC Name: 4-[[6-(4-carboxyanilino)-4-methyl-5-(methyldiazenyl)pyridin-2-yl]amino]benzoic acid Traditional Name: 4-[[6-(4-carboxyanilino)-4-methyl-5-methylazo-2-pyridyl]amino]benzoic acid Formula: C21H19N5O4 MolecularWeight: 405.40666

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19N5O4/c1-12-11-17(23-15-7-3-13(4-8-15)20(27)28)25-19(18(12)26-22-2)24-16-9-5-14(6-10-16)21(29)30/h3-11H,1-2H3,(H,27,28)(H,29,30)(H2,23,24,25)