[(1R)-2-(cyclopropylamino)-2-oxidanylidene-1-phenyl-ethyl] 3-nitrobenzoate

Systemtic Name: [(1R)-2-(cyclopropylamino)-2-oxidanylidene-1-phenyl-ethyl] 3-nitrobenzoate Openeye Name: [(1R)-2-(cyclopropylamino)-2-oxo-1-phenyl-ethyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [(1R)-2-(cyclopropylamino)-2-keto-1-phenyl-ethyl] ester Formula: C18H16N2O5 MolecularWeight: 340.33004

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C(C2=CC=CC=C2)OC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1CC1NC(=O)[C@@H](C2=CC=CC=C2)OC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H16N2O5/c21-17(19-14-9-10-14)16(12-5-2-1-3-6-12)25-18(22)13-7-4-8-15(11-13)20(23)24/h1-8,11,14,16H,9-10H2,(H,19,21)/t16-/m1/s1