[2-oxidanylidene-2-[phenyl(prop-2-enyl)amino]ethyl] 4-methyl-3-nitro-benzoate

Systemtic Name: [2-oxidanylidene-2-[phenyl(prop-2-enyl)amino]ethyl] 4-methyl-3-nitro-benzoate Openeye Name: [2-(N-allylanilino)-2-oxo-ethyl] 4-methyl-3-nitro-benzoate CAS Name: 4-methyl-3-nitrobenzoic acid [2-oxo-2-(N-prop-2-enylanilino)ethyl] ester IUPAC Name: [2-oxo-2-(N-prop-2-enylanilino)ethyl] 4-methyl-3-nitrobenzoate Traditional Name: 4-methyl-3-nitro-benzoic acid [2-(N-allylanilino)-2-keto-ethyl] ester Formula: C19H18N2O5 MolecularWeight: 354.35662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OCC(=O)N(CC=C)C2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCC(=O)N(CC=C)C2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C19H18N2O5/c1-3-11-20(16-7-5-4-6-8-16)18(22)13-26-19(23)15-10-9-14(2)17(12-15)21(24)25/h3-10,12H,1,11,13H2,2H3