[2-oxidanylidene-2-(4-phenylbutan-2-ylamino)ethyl] 4-nitrobenzoate

Systemtic Name: [2-oxidanylidene-2-(4-phenylbutan-2-ylamino)ethyl] 4-nitrobenzoate Openeye Name: [2-[(1-methyl-3-phenyl-propyl)amino]-2-oxo-ethyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [2-oxo-2-(4-phenylbutan-2-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(4-phenylbutan-2-ylamino)ethyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [2-keto-2-[(1-methyl-3-phenyl-propyl)amino]ethyl] ester Formula: C19H20N2O5 MolecularWeight: 356.3725

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=CC=C1)NC(=O)COC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(CCC1=CC=CC=C1)NC(=O)COC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C19H20N2O5/c1-14(7-8-15-5-3-2-4-6-15)20-18(22)13-26-19(23)16-9-11-17(12-10-16)21(24)25/h2-6,9-12,14H,7-8,13H2,1H3,(H,20,22)