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

Systemtic Name: dimethyl 2-[[(3S)-6-methyl-1-oxidanylidene-3,4-dihydroisochromen-3-yl]carbonylamino]benzene-1,4-dicarboxylate Openeye Name: dimethyl 2-[[(3S)-6-methyl-1-oxo-isochromane-3-carbonyl]amino]benzene-1,4-dicarboxylate CAS Name: 2-[[[(3S)-6-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-3-yl]-oxomethyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[[(3S)-6-methyl-1-oxo-3,4-dihydroisochromene-3-carbonyl]amino]benzene-1,4-dicarboxylate Traditional Name: 2-[[(3S)-1-keto-6-methyl-isochroman-3-carbonyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester Formula: C21H19NO7 MolecularWeight: 397.37806

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=O)OC(C2)C(=O)NC3=C(C=CC(=C3)C(=O)OC)C(=O)OC

Isomeric SMILES

CC1=CC2=C(C=C1)C(=O)O[C@@H](C2)C(=O)NC3=C(C=CC(=C3)C(=O)OC)C(=O)OC

InChI

InChI=1S/C21H19NO7/c1-11-4-6-14-13(8-11)10-17(29-21(14)26)18(23)22-16-9-12(19(24)27-2)5-7-15(16)20(25)28-3/h4-9,17H,10H2,1-3H3,(H,22,23)/t17-/m0/s1