[2-[(3-nitrophenyl)amino]-2-oxidanylidene-ethyl] 3,5-dimethyl-4-[(1S)-1-oxidanylethyl]-1H-pyrrole-2-carboxylate

Systemtic Name: [2-[(3-nitrophenyl)amino]-2-oxidanylidene-ethyl] 3,5-dimethyl-4-[(1S)-1-oxidanylethyl]-1H-pyrrole-2-carboxylate Openeye Name: [2-(3-nitroanilino)-2-oxo-ethyl] 4-[(1S)-1-hydroxyethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate CAS Name: 4-[(1S)-1-hydroxyethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid [2-(3-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-nitroanilino)-2-oxoethyl] 4-[(1S)-1-hydroxyethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate Traditional Name: 4-[(1S)-1-hydroxyethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid [2-keto-2-(3-nitroanilino)ethyl] ester Formula: C17H19N3O6 MolecularWeight: 361.34926

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(C)O)C)C(=O)OCC(=O)NC2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(NC(=C1[C@H](C)O)C)C(=O)OCC(=O)NC2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H19N3O6/c1-9-15(11(3)21)10(2)18-16(9)17(23)26-8-14(22)19-12-5-4-6-13(7-12)20(24)25/h4-7,11,18,21H,8H2,1-3H3,(H,19,22)/t11-/m0/s1