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

Systemtic Name: [2-oxidanylidene-2-[phenyl(prop-2-enyl)amino]ethyl] 4,5-dimethoxy-2-nitro-benzoate Openeye Name: [2-(N-allylanilino)-2-oxo-ethyl] 4,5-dimethoxy-2-nitro-benzoate CAS Name: 4,5-dimethoxy-2-nitrobenzoic acid [2-oxo-2-(N-prop-2-enylanilino)ethyl] ester IUPAC Name: [2-oxo-2-(N-prop-2-enylanilino)ethyl] 4,5-dimethoxy-2-nitrobenzoate Traditional Name: 4,5-dimethoxy-2-nitro-benzoic acid [2-(N-allylanilino)-2-keto-ethyl] ester Formula: C20H20N2O7 MolecularWeight: 400.382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N2O7/c1-4-10-21(14-8-6-5-7-9-14)19(23)13-29-20(24)15-11-17(27-2)18(28-3)12-16(15)22(25)26/h4-9,11-12H,1,10,13H2,2-3H3