4-[(6-ethyl-1-oxidanylidene-3,4-dihydroisochromen-3-yl)carbonylamino]benzoic acid

Systemtic Name: 4-[(6-ethyl-1-oxidanylidene-3,4-dihydroisochromen-3-yl)carbonylamino]benzoic acid Openeye Name: 4-[(6-ethyl-1-oxo-isochromane-3-carbonyl)amino]benzoic acid CAS Name: 4-[[(6-ethyl-1-oxo-3,4-dihydro-1H-2-benzopyran-3-yl)-oxomethyl]amino]benzoic acid IUPAC Name: 4-[(6-ethyl-1-oxo-3,4-dihydroisochromene-3-carbonyl)amino]benzoic acid Traditional Name: 4-[(6-ethyl-1-keto-isochroman-3-carbonyl)amino]benzoic acid Formula: C19H17NO5 MolecularWeight: 339.34198

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C(=O)OC(C2)C(=O)NC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=O)OC(C2)C(=O)NC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C19H17NO5/c1-2-11-3-8-15-13(9-11)10-16(25-19(15)24)17(21)20-14-6-4-12(5-7-14)18(22)23/h3-9,16H,2,10H2,1H3,(H,20,21)(H,22,23)