[2-(3,3-diphenylpropylamino)-2-oxidanylidene-ethyl] 4,5-dimethoxy-2-nitro-benzoate

Systemtic Name: [2-(3,3-diphenylpropylamino)-2-oxidanylidene-ethyl] 4,5-dimethoxy-2-nitro-benzoate Openeye Name: [2-(3,3-diphenylpropylamino)-2-oxo-ethyl] 4,5-dimethoxy-2-nitro-benzoate CAS Name: 4,5-dimethoxy-2-nitrobenzoic acid [2-(3,3-diphenylpropylamino)-2-oxoethyl] ester IUPAC Name: [2-(3,3-diphenylpropylamino)-2-oxoethyl] 4,5-dimethoxy-2-nitrobenzoate Traditional Name: 4,5-dimethoxy-2-nitro-benzoic acid [2-(3,3-diphenylpropylamino)-2-keto-ethyl] ester Formula: C26H26N2O7 MolecularWeight: 478.49384

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)OCC(=O)NCCC(C2=CC=CC=C2)C3=CC=CC=C3)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)OCC(=O)NCCC(C2=CC=CC=C2)C3=CC=CC=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C26H26N2O7/c1-33-23-15-21(22(28(31)32)16-24(23)34-2)26(30)35-17-25(29)27-14-13-20(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,15-16,20H,13-14,17H2,1-2H3,(H,27,29)