[2-oxidanylidene-2-[[2-(phenylmethyl)phenyl]amino]ethyl] 4,5-dimethoxy-2-nitro-benzoate

Systemtic Name: [2-oxidanylidene-2-[[2-(phenylmethyl)phenyl]amino]ethyl] 4,5-dimethoxy-2-nitro-benzoate Openeye Name: [2-(2-benzylanilino)-2-oxo-ethyl] 4,5-dimethoxy-2-nitro-benzoate CAS Name: 4,5-dimethoxy-2-nitrobenzoic acid [2-oxo-2-[2-(phenylmethyl)anilino]ethyl] ester IUPAC Name: [2-(2-benzylanilino)-2-oxoethyl] 4,5-dimethoxy-2-nitrobenzoate Traditional Name: 4,5-dimethoxy-2-nitro-benzoic acid [2-(2-benzylanilino)-2-keto-ethyl] ester Formula: C24H22N2O7 MolecularWeight: 450.44068

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)OCC(=O)NC2=CC=CC=C2CC3=CC=CC=C3)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)OCC(=O)NC2=CC=CC=C2CC3=CC=CC=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C24H22N2O7/c1-31-21-13-18(20(26(29)30)14-22(21)32-2)24(28)33-15-23(27)25-19-11-7-6-10-17(19)12-16-8-4-3-5-9-16/h3-11,13-14H,12,15H2,1-2H3,(H,25,27)