methyl 2-[(6-bromanyl-1-oxidanylidene-3,4-dihydroisochromen-3-yl)carbonylamino]-4,5-dimethoxy-benzoate

Systemtic Name: methyl 2-[(6-bromanyl-1-oxidanylidene-3,4-dihydroisochromen-3-yl)carbonylamino]-4,5-dimethoxy-benzoate Openeye Name: methyl 2-[(6-bromo-1-oxo-isochromane-3-carbonyl)amino]-4,5-dimethoxy-benzoate CAS Name: 2-[[(6-bromo-1-oxo-3,4-dihydro-1H-2-benzopyran-3-yl)-oxomethyl]amino]-4,5-dimethoxybenzoic acid methyl ester IUPAC Name: methyl 2-[(6-bromo-1-oxo-3,4-dihydroisochromene-3-carbonyl)amino]-4,5-dimethoxybenzoate Traditional Name: 2-[(6-bromo-1-keto-isochroman-3-carbonyl)amino]-4,5-dimethoxy-benzoic acid methyl ester Formula: C20H18BrNO7 MolecularWeight: 464.26342

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)OC)NC(=O)C2CC3=C(C=CC(=C3)Br)C(=O)O2)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)OC)NC(=O)C2CC3=C(C=CC(=C3)Br)C(=O)O2)OC

InChI

InChI=1S/C20H18BrNO7/c1-26-15-8-13(19(24)28-3)14(9-16(15)27-2)22-18(23)17-7-10-6-11(21)4-5-12(10)20(25)29-17/h4-6,8-9,17H,7H2,1-3H3,(H,22,23)