[2-oxidanylidene-2-(1-phenylethylamino)ethyl] 4-methyl-3-nitro-benzoate

Systemtic Name: [2-oxidanylidene-2-(1-phenylethylamino)ethyl] 4-methyl-3-nitro-benzoate Openeye Name: [2-oxo-2-(1-phenylethylamino)ethyl] 4-methyl-3-nitro-benzoate CAS Name: 4-methyl-3-nitrobenzoic acid [2-oxo-2-(1-phenylethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(1-phenylethylamino)ethyl] 4-methyl-3-nitrobenzoate Traditional Name: 4-methyl-3-nitro-benzoic acid [2-keto-2-(1-phenylethylamino)ethyl] ester Formula: C18H18N2O5 MolecularWeight: 342.34592

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N2O5/c1-12-8-9-15(10-16(12)20(23)24)18(22)25-11-17(21)19-13(2)14-6-4-3-5-7-14/h3-10,13H,11H2,1-2H3,(H,19,21)