5-(aminomethyl)-2-[[2-[(2-carboxyphenyl)amino]phenyl]amino]benzoic acid

Systemtic Name: 5-(aminomethyl)-2-[[2-[(2-carboxyphenyl)amino]phenyl]amino]benzoic acid Openeye Name: 5-(aminomethyl)-2-[2-(2-carboxyanilino)anilino]benzoic acid CAS Name: 5-(aminomethyl)-2-[2-(2-carboxyanilino)anilino]benzoic acid IUPAC Name: 5-(aminomethyl)-2-[2-(2-carboxyanilino)anilino]benzoic acid Traditional Name: 5-(aminomethyl)-2-[2-(2-carboxyanilino)anilino]benzoic acid Formula: C21H19N3O4 MolecularWeight: 377.39326

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)O)NC2=CC=CC=C2NC3=C(C=C(C=C3)CN)C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)O)NC2=CC=CC=C2NC3=C(C=C(C=C3)CN)C(=O)O

InChI

InChI=1S/C21H19N3O4/c22-12-13-9-10-17(15(11-13)21(27)28)24-19-8-4-3-7-18(19)23-16-6-2-1-5-14(16)20(25)26/h1-11,23-24H,12,22H2,(H,25,26)(H,27,28)