4-[(3-azanyl-1-oxidanylidene-isochromen-4-yl)amino]benzoic acid

Systemtic Name: 4-[(3-azanyl-1-oxidanylidene-isochromen-4-yl)amino]benzoic acid Openeye Name: 4-[(3-amino-1-oxo-isochromen-4-yl)amino]benzoic acid CAS Name: 4-[(3-amino-1-oxo-2-benzopyran-4-yl)amino]benzoic acid IUPAC Name: 4-[(3-amino-1-oxoisochromen-4-yl)amino]benzoic acid Traditional Name: 4-[(3-amino-1-keto-isochromen-4-yl)amino]benzoic acid Formula: C16H12N2O4 MolecularWeight: 296.27748

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C(OC2=O)N)NC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=C(OC2=O)N)NC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C16H12N2O4/c17-14-13(11-3-1-2-4-12(11)16(21)22-14)18-10-7-5-9(6-8-10)15(19)20/h1-8,18H,17H2,(H,19,20)