dimethyl 2-[(6-bromanyl-3-methyl-1-oxidanylidene-4H-isochromen-3-yl)carbonylamino]benzene-1,4-dicarboxylate

Systemtic Name: dimethyl 2-[(6-bromanyl-3-methyl-1-oxidanylidene-4H-isochromen-3-yl)carbonylamino]benzene-1,4-dicarboxylate Openeye Name: dimethyl 2-[(6-bromo-3-methyl-1-oxo-isochromane-3-carbonyl)amino]benzene-1,4-dicarboxylate CAS Name: 2-[[(6-bromo-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-3-yl)-oxomethyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[(6-bromo-3-methyl-1-oxo-4H-isochromene-3-carbonyl)amino]benzene-1,4-dicarboxylate Traditional Name: 2-[(6-bromo-1-keto-3-methyl-isochroman-3-carbonyl)amino]benzene-1,4-dicarboxylic acid dimethyl ester Formula: C21H18BrNO7 MolecularWeight: 476.27412

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C=CC(=C2)Br)C(=O)O1)C(=O)NC3=C(C=CC(=C3)C(=O)OC)C(=O)OC

Isomeric SMILES

CC1(CC2=C(C=CC(=C2)Br)C(=O)O1)C(=O)NC3=C(C=CC(=C3)C(=O)OC)C(=O)OC

InChI

InChI=1S/C21H18BrNO7/c1-21(10-12-8-13(22)5-7-14(12)19(26)30-21)20(27)23-16-9-11(17(24)28-2)4-6-15(16)18(25)29-3/h4-9H,10H2,1-3H3,(H,23,27)