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

Systemtic Name: [(1S)-2-morpholin-4-yl-2-oxidanylidene-1-phenyl-ethyl] 1-methyl-4-nitro-pyrrole-2-carboxylate Openeye Name: [(1S)-2-morpholino-2-oxo-1-phenyl-ethyl] 1-methyl-4-nitro-pyrrole-2-carboxylate CAS Name: 1-methyl-4-nitro-2-pyrrolecarboxylic acid [(1S)-2-(4-morpholinyl)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 1-methyl-4-nitropyrrole-2-carboxylate Traditional Name: 1-methyl-4-nitro-pyrrole-2-carboxylic acid [(1S)-2-keto-2-morpholino-1-phenyl-ethyl] ester Formula: C18H19N3O6 MolecularWeight: 373.35996

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)OC(C2=CC=CC=C2)C(=O)N3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

CN1C=C(C=C1C(=O)O[C@@H](C2=CC=CC=C2)C(=O)N3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C18H19N3O6/c1-19-12-14(21(24)25)11-15(19)18(23)27-16(13-5-3-2-4-6-13)17(22)20-7-9-26-10-8-20/h2-6,11-12,16H,7-10H2,1H3/t16-/m0/s1