dimethyl 5-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-(4-nitro-1,3-dioxo-isoindolin-2-yl)benzene-1,3-dicarboxylate CAS Name: 5-(4-nitro-1,3-dioxo-2-isoindolyl)benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-(4-nitro-1,3-dioxoisoindol-2-yl)benzene-1,3-dicarboxylate Traditional Name: 5-(1,3-diketo-4-nitro-isoindolin-2-yl)benzene-1,3-dicarboxylic acid dimethyl ester Formula: C18H12N2O8 MolecularWeight: 384.29648

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H12N2O8/c1-27-17(23)9-6-10(18(24)28-2)8-11(7-9)19-15(21)12-4-3-5-13(20(25)26)14(12)16(19)22/h3-8H,1-2H3