[2-oxidanylidene-2-(1-phenylethylamino)ethyl] 4-nitrobenzoate

Systemtic Name: [2-oxidanylidene-2-(1-phenylethylamino)ethyl] 4-nitrobenzoate Openeye Name: [2-oxo-2-(1-phenylethylamino)ethyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [2-oxo-2-(1-phenylethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(1-phenylethylamino)ethyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [2-keto-2-(1-phenylethylamino)ethyl] ester Formula: C17H16N2O5 MolecularWeight: 328.31934

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N2O5/c1-12(13-5-3-2-4-6-13)18-16(20)11-24-17(21)14-7-9-15(10-8-14)19(22)23/h2-10,12H,11H2,1H3,(H,18,20)