(2-chloranyl-4-nitro-phenyl) 1-methyl-4-pyrrolidin-1-ylsulfonyl-pyrrole-2-carboxylate

Systemtic Name: (2-chloranyl-4-nitro-phenyl) 1-methyl-4-pyrrolidin-1-ylsulfonyl-pyrrole-2-carboxylate Openeye Name: (2-chloro-4-nitro-phenyl) 1-methyl-4-pyrrolidin-1-ylsulfonyl-pyrrole-2-carboxylate CAS Name: 1-methyl-4-(1-pyrrolidinylsulfonyl)-2-pyrrolecarboxylic acid (2-chloro-4-nitrophenyl) ester IUPAC Name: (2-chloro-4-nitrophenyl) 1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxylate Traditional Name: 1-methyl-4-pyrrolidinosulfonyl-pyrrole-2-carboxylic acid (2-chloro-4-nitro-phenyl) ester Formula: C16H16ClN3O6S MolecularWeight: 413.83274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)OC2=C(C=C(C=C2)[N+](=O)[O-])Cl)S(=O)(=O)N3CCCC3

Isomeric SMILES

CN1C=C(C=C1C(=O)OC2=C(C=C(C=C2)[N+](=O)[O-])Cl)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C16H16ClN3O6S/c1-18-10-12(27(24,25)19-6-2-3-7-19)9-14(18)16(21)26-15-5-4-11(20(22)23)8-13(15)17/h4-5,8-10H,2-3,6-7H2,1H3