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

Systemtic Name: (2-chloranyl-4-nitro-phenyl) 1-methyl-4-morpholin-4-ylsulfonyl-pyrrole-2-carboxylate Openeye Name: (2-chloro-4-nitro-phenyl) 1-methyl-4-morpholinosulfonyl-pyrrole-2-carboxylate CAS Name: 1-methyl-4-(4-morpholinylsulfonyl)-2-pyrrolecarboxylic acid (2-chloro-4-nitrophenyl) ester IUPAC Name: (2-chloro-4-nitrophenyl) 1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxylate Traditional Name: 1-methyl-4-morpholinosulfonyl-pyrrole-2-carboxylic acid (2-chloro-4-nitro-phenyl) ester Formula: C16H16ClN3O7S MolecularWeight: 429.83214

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)OC2=C(C=C(C=C2)[N+](=O)[O-])Cl)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CN1C=C(C=C1C(=O)OC2=C(C=C(C=C2)[N+](=O)[O-])Cl)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C16H16ClN3O7S/c1-18-10-12(28(24,25)19-4-6-26-7-5-19)9-14(18)16(21)27-15-3-2-11(20(22)23)8-13(15)17/h2-3,8-10H,4-7H2,1H3