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

Systemtic Name: [2-oxidanylidene-2-(3-phenylpropylamino)ethyl] 4,5-dimethoxy-2-nitro-benzoate Openeye Name: [2-oxo-2-(3-phenylpropylamino)ethyl] 4,5-dimethoxy-2-nitro-benzoate CAS Name: 4,5-dimethoxy-2-nitrobenzoic acid [2-oxo-2-(3-phenylpropylamino)ethyl] ester IUPAC Name: [2-oxo-2-(3-phenylpropylamino)ethyl] 4,5-dimethoxy-2-nitrobenzoate Traditional Name: 4,5-dimethoxy-2-nitro-benzoic acid [2-keto-2-(3-phenylpropylamino)ethyl] ester Formula: C20H22N2O7 MolecularWeight: 402.39788

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)OCC(=O)NCCCC2=CC=CC=C2)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)OCC(=O)NCCCC2=CC=CC=C2)[N+](=O)[O-])OC

InChI

InChI=1S/C20H22N2O7/c1-27-17-11-15(16(22(25)26)12-18(17)28-2)20(24)29-13-19(23)21-10-6-9-14-7-4-3-5-8-14/h3-5,7-8,11-12H,6,9-10,13H2,1-2H3,(H,21,23)