dimethyl 2-[[(3S)-7-chloranyl-3-methyl-1-oxidanylidene-4H-isochromen-3-yl]carbonylamino]benzene-1,4-dicarboxylate

Systemtic Name: dimethyl 2-[[(3S)-7-chloranyl-3-methyl-1-oxidanylidene-4H-isochromen-3-yl]carbonylamino]benzene-1,4-dicarboxylate Openeye Name: dimethyl 2-[[(3S)-7-chloro-3-methyl-1-oxo-isochromane-3-carbonyl]amino]benzene-1,4-dicarboxylate CAS Name: 2-[[[(3S)-7-chloro-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)-7-chloro-3-methyl-1-oxo-4H-isochromene-3-carbonyl]amino]benzene-1,4-dicarboxylate Traditional Name: 2-[[(3S)-7-chloro-1-keto-3-methyl-isochroman-3-carbonyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester Formula: C21H18ClNO7 MolecularWeight: 431.82312

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@]1(CC2=C(C=C(C=C2)Cl)C(=O)O1)C(=O)NC3=C(C=CC(=C3)C(=O)OC)C(=O)OC

InChI

InChI=1S/C21H18ClNO7/c1-21(10-12-4-6-13(22)9-15(12)19(26)30-21)20(27)23-16-8-11(17(24)28-2)5-7-14(16)18(25)29-3/h4-9H,10H2,1-3H3,(H,23,27)/t21-/m0/s1