methyl 3-(3,4-dimethoxyphenyl)-3-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]propanoate

Systemtic Name: methyl 3-(3,4-dimethoxyphenyl)-3-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]propanoate Openeye Name: methyl 3-(3,4-dimethoxyphenyl)-3-(5-nitro-1,3-dioxo-isoindolin-2-yl)propanoate CAS Name: 3-(3,4-dimethoxyphenyl)-3-(5-nitro-1,3-dioxo-2-isoindolyl)propanoic acid methyl ester IUPAC Name: methyl 3-(3,4-dimethoxyphenyl)-3-(5-nitro-1,3-dioxoisoindol-2-yl)propanoate Traditional Name: 3-(1,3-diketo-5-nitro-isoindolin-2-yl)-3-(3,4-dimethoxyphenyl)propionic acid methyl ester Formula: C20H18N2O8 MolecularWeight: 414.36552

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(CC(=O)OC)N2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(CC(=O)OC)N2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C20H18N2O8/c1-28-16-7-4-11(8-17(16)29-2)15(10-18(23)30-3)21-19(24)13-6-5-12(22(26)27)9-14(13)20(21)25/h4-9,15H,10H2,1-3H3