[1-oxidanylidene-1-(phenethylamino)propan-2-yl] 1-methyl-4-nitro-pyrrole-2-carboxylate

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCC1=CC=CC=C1)OC(=O)C2=CC(=CN2C)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)NCCC1=CC=CC=C1)OC(=O)C2=CC(=CN2C)[N+](=O)[O-]

InChI

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