dimethyl 2-[[(3R)-7-chloranyl-1-oxidanylidene-3,4-dihydroisochromen-3-yl]carbonylamino]benzene-1,4-dicarboxylate

Systemtic Name: dimethyl 2-[[(3R)-7-chloranyl-1-oxidanylidene-3,4-dihydroisochromen-3-yl]carbonylamino]benzene-1,4-dicarboxylate Openeye Name: dimethyl 2-[[(3R)-7-chloro-1-oxo-isochromane-3-carbonyl]amino]benzene-1,4-dicarboxylate CAS Name: 2-[[[(3R)-7-chloro-1-oxo-3,4-dihydro-1H-2-benzopyran-3-yl]-oxomethyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[[(3R)-7-chloro-1-oxo-3,4-dihydroisochromene-3-carbonyl]amino]benzene-1,4-dicarboxylate Traditional Name: 2-[[(3R)-7-chloro-1-keto-isochroman-3-carbonyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester Formula: C20H16ClNO7 MolecularWeight: 417.79654

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC(=O)[C@H]2CC3=C(C=C(C=C3)Cl)C(=O)O2

InChI

InChI=1S/C20H16ClNO7/c1-27-18(24)11-4-6-13(19(25)28-2)15(7-11)22-17(23)16-8-10-3-5-12(21)9-14(10)20(26)29-16/h3-7,9,16H,8H2,1-2H3,(H,22,23)/t16-/m1/s1