[(1R)-2-(dimethylamino)-2-oxidanylidene-1-phenyl-ethyl] 1-methyl-4-nitro-pyrrole-2-carboxylate

Systemtic Name: [(1R)-2-(dimethylamino)-2-oxidanylidene-1-phenyl-ethyl] 1-methyl-4-nitro-pyrrole-2-carboxylate Openeye Name: [(1R)-2-(dimethylamino)-2-oxo-1-phenyl-ethyl] 1-methyl-4-nitro-pyrrole-2-carboxylate CAS Name: 1-methyl-4-nitro-2-pyrrolecarboxylic acid [(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl] 1-methyl-4-nitropyrrole-2-carboxylate Traditional Name: 1-methyl-4-nitro-pyrrole-2-carboxylic acid [(1R)-2-(dimethylamino)-2-keto-1-phenyl-ethyl] ester Formula: C16H17N3O5 MolecularWeight: 331.32328

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17N3O5/c1-17(2)15(20)14(11-7-5-4-6-8-11)24-16(21)13-9-12(19(22)23)10-18(13)3/h4-10,14H,1-3H3/t14-/m1/s1