[2-[(3-nitrophenyl)amino]-2-oxidanylidene-ethyl] 5-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl]-2-methoxy-benzoate

Systemtic Name: [2-[(3-nitrophenyl)amino]-2-oxidanylidene-ethyl] 5-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl]-2-methoxy-benzoate Openeye Name: [2-(3-nitroanilino)-2-oxo-ethyl] 5-[(1,3-dioxoisoindolin-2-yl)methyl]-2-methoxy-benzoate CAS Name: 5-[(1,3-dioxo-2-isoindolyl)methyl]-2-methoxybenzoic acid [2-(3-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-nitroanilino)-2-oxoethyl] 5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxybenzoate Traditional Name: 2-methoxy-5-(phthalimidomethyl)benzoic acid [2-keto-2-(3-nitroanilino)ethyl] ester Formula: C25H19N3O8 MolecularWeight: 489.43366

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2C(=O)C3=CC=CC=C3C2=O)C(=O)OCC(=O)NC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)CN2C(=O)C3=CC=CC=C3C2=O)C(=O)OCC(=O)NC4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C25H19N3O8/c1-35-21-10-9-15(13-27-23(30)18-7-2-3-8-19(18)24(27)31)11-20(21)25(32)36-14-22(29)26-16-5-4-6-17(12-16)28(33)34/h2-12H,13-14H2,1H3,(H,26,29)