[1-[(3-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-pyrrolidin-1-ylsulfonyl-1H-pyrrole-2-carboxylate

Systemtic Name: [1-[(3-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-pyrrolidin-1-ylsulfonyl-1H-pyrrole-2-carboxylate Openeye Name: [1-methyl-2-(3-nitroanilino)-2-oxo-ethyl] 4-pyrrolidin-1-ylsulfonyl-1H-pyrrole-2-carboxylate CAS Name: 4-(1-pyrrolidinylsulfonyl)-1H-pyrrole-2-carboxylic acid [1-(3-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-nitroanilino)-1-oxopropan-2-yl] 4-pyrrolidin-1-ylsulfonyl-1H-pyrrole-2-carboxylate Traditional Name: 4-pyrrolidinosulfonyl-1H-pyrrole-2-carboxylic acid [2-keto-1-methyl-2-(3-nitroanilino)ethyl] ester Formula: C18H20N4O7S MolecularWeight: 436.439

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])OC(=O)C2=CC(=CN2)S(=O)(=O)N3CCCC3

Isomeric SMILES

CC(C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])OC(=O)C2=CC(=CN2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C18H20N4O7S/c1-12(17(23)20-13-5-4-6-14(9-13)22(25)26)29-18(24)16-10-15(11-19-16)30(27,28)21-7-2-3-8-21/h4-6,9-12,19H,2-3,7-8H2,1H3,(H,20,23)