[2-oxidanylidene-2-(2-phenylpropylamino)ethyl] 1-methyl-4-nitro-pyrrole-2-carboxylate

Systemtic Name: [2-oxidanylidene-2-(2-phenylpropylamino)ethyl] 1-methyl-4-nitro-pyrrole-2-carboxylate Openeye Name: [2-oxo-2-(2-phenylpropylamino)ethyl] 1-methyl-4-nitro-pyrrole-2-carboxylate CAS Name: 1-methyl-4-nitro-2-pyrrolecarboxylic acid [2-oxo-2-(2-phenylpropylamino)ethyl] ester IUPAC Name: [2-oxo-2-(2-phenylpropylamino)ethyl] 1-methyl-4-nitropyrrole-2-carboxylate Traditional Name: 1-methyl-4-nitro-pyrrole-2-carboxylic acid [2-keto-2-(2-phenylpropylamino)ethyl] ester Formula: C17H19N3O5 MolecularWeight: 345.34986

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CNC(=O)COC(=O)C1=CC(=CN1C)[N+](=O)[O-])C2=CC=CC=C2

Isomeric SMILES

CC(CNC(=O)COC(=O)C1=CC(=CN1C)[N+](=O)[O-])C2=CC=CC=C2

InChI

InChI=1S/C17H19N3O5/c1-12(13-6-4-3-5-7-13)9-18-16(21)11-25-17(22)15-8-14(20(23)24)10-19(15)2/h3-8,10,12H,9,11H2,1-2H3,(H,18,21)