methyl 4,5-dimethoxy-2-[(7-methyl-1-oxidanylidene-3,4-dihydroisochromen-3-yl)carbonylamino]benzoate

Systemtic Name: methyl 4,5-dimethoxy-2-[(7-methyl-1-oxidanylidene-3,4-dihydroisochromen-3-yl)carbonylamino]benzoate Openeye Name: methyl 4,5-dimethoxy-2-[(7-methyl-1-oxo-isochromane-3-carbonyl)amino]benzoate CAS Name: 4,5-dimethoxy-2-[[(7-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-3-yl)-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4,5-dimethoxy-2-[(7-methyl-1-oxo-3,4-dihydroisochromene-3-carbonyl)amino]benzoate Traditional Name: 2-[(1-keto-7-methyl-isochroman-3-carbonyl)amino]-4,5-dimethoxy-benzoic acid methyl ester Formula: C21H21NO7 MolecularWeight: 399.39394

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(CC(OC2=O)C(=O)NC3=CC(=C(C=C3C(=O)OC)OC)OC)C=C1

Isomeric SMILES

CC1=CC2=C(CC(OC2=O)C(=O)NC3=CC(=C(C=C3C(=O)OC)OC)OC)C=C1

InChI

InChI=1S/C21H21NO7/c1-11-5-6-12-8-18(29-21(25)13(12)7-11)19(23)22-15-10-17(27-3)16(26-2)9-14(15)20(24)28-4/h5-7,9-10,18H,8H2,1-4H3,(H,22,23)