2-[[2-[(2-carboxyphenyl)amino]-4-cyano-phenyl]amino]benzoic acid

Systemtic Name: 2-[[2-[(2-carboxyphenyl)amino]-4-cyano-phenyl]amino]benzoic acid Openeye Name: 2-[2-(2-carboxyanilino)-4-cyano-anilino]benzoic acid CAS Name: 2-[2-(2-carboxyanilino)-4-cyanoanilino]benzoic acid IUPAC Name: 2-[2-(2-carboxyanilino)-4-cyanoanilino]benzoic acid Traditional Name: 2-[2-(2-carboxyanilino)-4-cyano-anilino]benzoic acid Formula: C21H15N3O4 MolecularWeight: 373.3615

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)O)NC2=C(C=C(C=C2)C#N)NC3=CC=CC=C3C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)O)NC2=C(C=C(C=C2)C#N)NC3=CC=CC=C3C(=O)O

InChI

InChI=1S/C21H15N3O4/c22-12-13-9-10-18(23-16-7-3-1-5-14(16)20(25)26)19(11-13)24-17-8-4-2-6-15(17)21(27)28/h1-11,23-24H,(H,25,26)(H,27,28)