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

Systemtic Name: dimethyl 2-[(6-bromanyl-1-oxidanylidene-3,4-dihydroisochromen-3-yl)carbonylamino]benzene-1,4-dicarboxylate Openeye Name: dimethyl 2-[(6-bromo-1-oxo-isochromane-3-carbonyl)amino]benzene-1,4-dicarboxylate CAS Name: 2-[[(6-bromo-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-1-oxo-3,4-dihydroisochromene-3-carbonyl)amino]benzene-1,4-dicarboxylate Traditional Name: 2-[(6-bromo-1-keto-isochroman-3-carbonyl)amino]benzene-1,4-dicarboxylic acid dimethyl ester Formula: C20H16BrNO7 MolecularWeight: 462.24754

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H16BrNO7/c1-27-18(24)10-3-5-14(19(25)28-2)15(8-10)22-17(23)16-9-11-7-12(21)4-6-13(11)20(26)29-16/h3-8,16H,9H2,1-2H3,(H,22,23)