methyl 3-(3-ethoxy-4-methoxy-phenyl)-3-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]propanoate

Systemtic Name: methyl 3-(3-ethoxy-4-methoxy-phenyl)-3-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]propanoate Openeye Name: methyl 3-(3-ethoxy-4-methoxy-phenyl)-3-(4-nitro-1,3-dioxo-isoindolin-2-yl)propanoate CAS Name: 3-(3-ethoxy-4-methoxyphenyl)-3-(4-nitro-1,3-dioxo-2-isoindolyl)propanoic acid methyl ester IUPAC Name: methyl 3-(3-ethoxy-4-methoxyphenyl)-3-(4-nitro-1,3-dioxoisoindol-2-yl)propanoate Traditional Name: 3-(1,3-diketo-4-nitro-isoindolin-2-yl)-3-(3-ethoxy-4-methoxy-phenyl)propionic acid methyl ester Formula: C21H20N2O8 MolecularWeight: 428.3921

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(CC(=O)OC)N2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-])OC

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(CC(=O)OC)N2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C21H20N2O8/c1-4-31-17-10-12(8-9-16(17)29-2)15(11-18(24)30-3)22-20(25)13-6-5-7-14(23(27)28)19(13)21(22)26/h5-10,15H,4,11H2,1-3H3