4-[(1-oxidanylidene-3,4-dihydroisochromen-3-yl)carbonylamino]benzoic acid

Systemtic Name: 4-[(1-oxidanylidene-3,4-dihydroisochromen-3-yl)carbonylamino]benzoic acid Openeye Name: 4-[(1-oxoisochromane-3-carbonyl)amino]benzoic acid CAS Name: 4-[[oxo-(1-oxo-3,4-dihydro-1H-2-benzopyran-3-yl)methyl]amino]benzoic acid IUPAC Name: 4-[(1-oxo-3,4-dihydroisochromene-3-carbonyl)amino]benzoic acid Traditional Name: 4-[(1-ketoisochroman-3-carbonyl)amino]benzoic acid Formula: C17H13NO5 MolecularWeight: 311.28882

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC(=O)C2=CC=CC=C21)C(=O)NC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1C(OC(=O)C2=CC=CC=C21)C(=O)NC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C17H13NO5/c19-15(18-12-7-5-10(6-8-12)16(20)21)14-9-11-3-1-2-4-13(11)17(22)23-14/h1-8,14H,9H2,(H,18,19)(H,20,21)