methyl 4,5-dimethoxy-2-[2-(1-methylidene-3-oxidanylidene-isoindol-2-yl)ethanoylamino]benzoate

Systemtic Name: methyl 4,5-dimethoxy-2-[2-(1-methylidene-3-oxidanylidene-isoindol-2-yl)ethanoylamino]benzoate Openeye Name: methyl 4,5-dimethoxy-2-[[2-(1-methylene-3-oxo-isoindolin-2-yl)acetyl]amino]benzoate CAS Name: 4,5-dimethoxy-2-[[2-(1-methylene-3-oxo-2-isoindolyl)-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4,5-dimethoxy-2-[[2-(1-methylidene-3-oxoisoindol-2-yl)acetyl]amino]benzoate Traditional Name: 2-[[2-(1-keto-3-methylene-isoindolin-2-yl)acetyl]amino]-4,5-dimethoxy-benzoic acid methyl ester Formula: C21H20N2O6 MolecularWeight: 396.3933

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)OC)NC(=O)CN2C(=C)C3=CC=CC=C3C2=O)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)OC)NC(=O)CN2C(=C)C3=CC=CC=C3C2=O)OC

InChI

InChI=1S/C21H20N2O6/c1-12-13-7-5-6-8-14(13)20(25)23(12)11-19(24)22-16-10-18(28-3)17(27-2)9-15(16)21(26)29-4/h5-10H,1,11H2,2-4H3,(H,22,24)