[2-(4-methylphenyl)-2-oxidanylidene-ethyl] 2-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]-3-phenyl-propanoate

Systemtic Name: [2-(4-methylphenyl)-2-oxidanylidene-ethyl] 2-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]-3-phenyl-propanoate Openeye Name: [2-oxo-2-(p-tolyl)ethyl] 2-(4-nitro-1,3-dioxo-isoindolin-2-yl)-3-phenyl-propanoate CAS Name: 2-(4-nitro-1,3-dioxo-2-isoindolyl)-3-phenylpropanoic acid [2-(4-methylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methylphenyl)-2-oxoethyl] 2-(4-nitro-1,3-dioxoisoindol-2-yl)-3-phenylpropanoate Traditional Name: 2-(1,3-diketo-4-nitro-isoindolin-2-yl)-3-phenyl-propionic acid [2-keto-2-(p-tolyl)ethyl] ester Formula: C26H20N2O7 MolecularWeight: 472.4462

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)COC(=O)C(CC2=CC=CC=C2)N3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)COC(=O)C(CC2=CC=CC=C2)N3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C26H20N2O7/c1-16-10-12-18(13-11-16)22(29)15-35-26(32)21(14-17-6-3-2-4-7-17)27-24(30)19-8-5-9-20(28(33)34)23(19)25(27)31/h2-13,21H,14-15H2,1H3