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

Systemtic Name: 4-[(6-methyl-1-oxidanylidene-3,4-dihydroisochromen-3-yl)carbonylamino]benzoic acid Openeye Name: 4-[(6-methyl-1-oxo-isochromane-3-carbonyl)amino]benzoic acid CAS Name: 4-[[(6-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-3-yl)-oxomethyl]amino]benzoic acid IUPAC Name: 4-[(6-methyl-1-oxo-3,4-dihydroisochromene-3-carbonyl)amino]benzoic acid Traditional Name: 4-[(1-keto-6-methyl-isochroman-3-carbonyl)amino]benzoic acid Formula: C18H15NO5 MolecularWeight: 325.3154

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=O)OC(C2)C(=O)NC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CC1=CC2=C(C=C1)C(=O)OC(C2)C(=O)NC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C18H15NO5/c1-10-2-7-14-12(8-10)9-15(24-18(14)23)16(20)19-13-5-3-11(4-6-13)17(21)22/h2-8,15H,9H2,1H3,(H,19,20)(H,21,22)