[(1S)-2-(cyclopropylamino)-2-oxidanylidene-1-phenyl-ethyl] 1-methyl-4-nitro-pyrrole-2-carboxylate

Systemtic Name: [(1S)-2-(cyclopropylamino)-2-oxidanylidene-1-phenyl-ethyl] 1-methyl-4-nitro-pyrrole-2-carboxylate Openeye Name: [(1S)-2-(cyclopropylamino)-2-oxo-1-phenyl-ethyl] 1-methyl-4-nitro-pyrrole-2-carboxylate CAS Name: 1-methyl-4-nitro-2-pyrrolecarboxylic acid [(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 1-methyl-4-nitropyrrole-2-carboxylate Traditional Name: 1-methyl-4-nitro-pyrrole-2-carboxylic acid [(1S)-2-(cyclopropylamino)-2-keto-1-phenyl-ethyl] ester Formula: C17H17N3O5 MolecularWeight: 343.33398

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)OC(C2=CC=CC=C2)C(=O)NC3CC3)[N+](=O)[O-]

Isomeric SMILES

CN1C=C(C=C1C(=O)O[C@@H](C2=CC=CC=C2)C(=O)NC3CC3)[N+](=O)[O-]

InChI

InChI=1S/C17H17N3O5/c1-19-10-13(20(23)24)9-14(19)17(22)25-15(11-5-3-2-4-6-11)16(21)18-12-7-8-12/h2-6,9-10,12,15H,7-8H2,1H3,(H,18,21)/t15-/m0/s1