methyl 2-nitro-4-[3-(2-oxidanylidenepyrrolidin-1-yl)propyl-propylsulfonyl-carbamoyl]benzoate

Systemtic Name: methyl 2-nitro-4-[3-(2-oxidanylidenepyrrolidin-1-yl)propyl-propylsulfonyl-carbamoyl]benzoate Openeye Name: methyl 2-nitro-4-[3-(2-oxopyrrolidin-1-yl)propyl-propylsulfonyl-carbamoyl]benzoate CAS Name: 2-nitro-4-[oxo-[3-(2-oxo-1-pyrrolidinyl)propyl-propylsulfonylamino]methyl]benzoic acid methyl ester IUPAC Name: methyl 2-nitro-4-[3-(2-oxopyrrolidin-1-yl)propyl-propylsulfonylcarbamoyl]benzoate Traditional Name: 4-[3-(2-ketopyrrolidino)propyl-propylsulfonyl-carbamoyl]-2-nitro-benzoic acid methyl ester Formula: C19H25N3O8S MolecularWeight: 455.4821

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)N(CCCN1CCCC1=O)C(=O)C2=CC(=C(C=C2)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CCCS(=O)(=O)N(CCCN1CCCC1=O)C(=O)C2=CC(=C(C=C2)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C19H25N3O8S/c1-3-12-31(28,29)21(11-5-10-20-9-4-6-17(20)23)18(24)14-7-8-15(19(25)30-2)16(13-14)22(26)27/h7-8,13H,3-6,9-12H2,1-2H3