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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)OCC(=O)N(CCC2=CC=CC=C2)CC3=CC=CC=C3)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)OCC(=O)N(CCC2=CC=CC=C2)CC3=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)35-18-25(29)27(17-20-11-7-4-8-12-20)14-13-19-9-5-3-6-10-19/h3-12,15-16H,13-14,17-18H2,1-2H3