2-[[N-(2-carboxyphenyl)-C-[(E)-C-methyl-N-phenylazanyl-carbonimidoyl]carbonimidoyl]amino]benzoic acid

Systemtic Name: 2-[[N-(2-carboxyphenyl)-C-[(E)-C-methyl-N-phenylazanyl-carbonimidoyl]carbonimidoyl]amino]benzoic acid Openeye Name: 2-[[C-[(E)-N-anilino-C-methyl-carbonimidoyl]-N-(2-carboxyphenyl)carbonimidoyl]amino]benzoic acid CAS Name: 2-[[(2E)-1-(2-carboxyphenyl)imino-2-(phenylhydrazinylidene)propyl]amino]benzoic acid IUPAC Name: 2-[[C-[(E)-N-anilino-C-methylcarbonimidoyl]-N-(2-carboxyphenyl)carbonimidoyl]amino]benzoic acid Traditional Name: 2-[[C-[(E)-N-anilino-C-methyl-carbonimidoyl]-N-(2-carboxyphenyl)carbonimidoyl]amino]benzoic acid Formula: C23H20N4O4 MolecularWeight: 416.4293

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC1=CC=CC=C1)C(=NC2=CC=CC=C2C(=O)O)NC3=CC=CC=C3C(=O)O

Isomeric SMILES

C/C(=N\NC1=CC=CC=C1)/C(=NC2=CC=CC=C2C(=O)O)NC3=CC=CC=C3C(=O)O

InChI

InChI=1S/C23H20N4O4/c1-15(26-27-16-9-3-2-4-10-16)21(24-19-13-7-5-11-17(19)22(28)29)25-20-14-8-6-12-18(20)23(30)31/h2-14,27H,1H3,(H,24,25)(H,28,29)(H,30,31)/b26-15+