[(2R)-1-[(3-bromophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-ethanoyl-1H-pyrrole-2-carboxylate

Systemtic Name: [(2R)-1-[(3-bromophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-ethanoyl-1H-pyrrole-2-carboxylate Openeye Name: [(1R)-2-(3-bromoanilino)-1-methyl-2-oxo-ethyl] 4-acetyl-1H-pyrrole-2-carboxylate CAS Name: 4-acetyl-1H-pyrrole-2-carboxylic acid [(2R)-1-(3-bromoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(3-bromoanilino)-1-oxopropan-2-yl] 4-acetyl-1H-pyrrole-2-carboxylate Traditional Name: 4-acetyl-1H-pyrrole-2-carboxylic acid [(1R)-2-(3-bromoanilino)-2-keto-1-methyl-ethyl] ester Formula: C16H15BrN2O4 MolecularWeight: 379.2053

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC=C1)Br)OC(=O)C2=CC(=CN2)C(=O)C

Isomeric SMILES

C[C@H](C(=O)NC1=CC(=CC=C1)Br)OC(=O)C2=CC(=CN2)C(=O)C

InChI

InChI=1S/C16H15BrN2O4/c1-9(20)11-6-14(18-8-11)16(22)23-10(2)15(21)19-13-5-3-4-12(17)7-13/h3-8,10,18H,1-2H3,(H,19,21)/t10-/m1/s1