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

Systemtic Name: dimethyl 2-[[(3S)-3-methyl-1-oxidanylidene-4H-isochromen-3-yl]carbonylamino]benzene-1,4-dicarboxylate Openeye Name: dimethyl 2-[[(3S)-3-methyl-1-oxo-isochromane-3-carbonyl]amino]benzene-1,4-dicarboxylate CAS Name: 2-[[[(3S)-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-[[(3S)-3-methyl-1-oxo-4H-isochromene-3-carbonyl]amino]benzene-1,4-dicarboxylate Traditional Name: 2-[[(3S)-1-keto-3-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=CC=CC=C2C(=O)O1)C(=O)NC3=C(C=CC(=C3)C(=O)OC)C(=O)OC

Isomeric SMILES

C[C@]1(CC2=CC=CC=C2C(=O)O1)C(=O)NC3=C(C=CC(=C3)C(=O)OC)C(=O)OC

InChI

InChI=1S/C21H19NO7/c1-21(11-13-6-4-5-7-14(13)19(25)29-21)20(26)22-16-10-12(17(23)27-2)8-9-15(16)18(24)28-3/h4-10H,11H2,1-3H3,(H,22,26)/t21-/m0/s1