[(2S)-1-[(2-chlorophenyl)amino]-1-oxidanylidene-propan-2-yl] 1-methyl-4-nitro-pyrrole-2-carboxylate

Systemtic Name: [(2S)-1-[(2-chlorophenyl)amino]-1-oxidanylidene-propan-2-yl] 1-methyl-4-nitro-pyrrole-2-carboxylate Openeye Name: [(1S)-2-(2-chloroanilino)-1-methyl-2-oxo-ethyl] 1-methyl-4-nitro-pyrrole-2-carboxylate CAS Name: 1-methyl-4-nitro-2-pyrrolecarboxylic acid [(2S)-1-(2-chloroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(2-chloroanilino)-1-oxopropan-2-yl] 1-methyl-4-nitropyrrole-2-carboxylate Traditional Name: 1-methyl-4-nitro-pyrrole-2-carboxylic acid [(1S)-2-(2-chloroanilino)-2-keto-1-methyl-ethyl] ester Formula: C15H14ClN3O5 MolecularWeight: 351.74176

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1Cl)OC(=O)C2=CC(=CN2C)[N+](=O)[O-]

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=CC=C1Cl)OC(=O)C2=CC(=CN2C)[N+](=O)[O-]

InChI

InChI=1S/C15H14ClN3O5/c1-9(14(20)17-12-6-4-3-5-11(12)16)24-15(21)13-7-10(19(22)23)8-18(13)2/h3-9H,1-2H3,(H,17,20)/t9-/m0/s1