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

Systemtic Name: [2-(3-methoxyphenyl)-2-oxidanylidene-ethyl] 2-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]-3-phenyl-propanoate Openeye Name: [2-(3-methoxyphenyl)-2-oxo-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-(3-methoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(3-methoxyphenyl)-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-(3-methoxyphenyl)ethyl] ester Formula: C26H20N2O8 MolecularWeight: 488.4456

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)COC(=O)C(CC2=CC=CC=C2)N3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC(=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/C26H20N2O8/c1-35-18-10-5-9-17(14-18)22(29)15-36-26(32)21(13-16-7-3-2-4-8-16)27-24(30)19-11-6-12-20(28(33)34)23(19)25(27)31/h2-12,14,21H,13,15H2,1H3