methyl 3-nitro-5-[3-(2-oxidanylidenepyrrolidin-1-yl)propyl-propylsulfonyl-carbamoyl]benzoate

Systemtic Name: methyl 3-nitro-5-[3-(2-oxidanylidenepyrrolidin-1-yl)propyl-propylsulfonyl-carbamoyl]benzoate Openeye Name: methyl 3-nitro-5-[3-(2-oxopyrrolidin-1-yl)propyl-propylsulfonyl-carbamoyl]benzoate CAS Name: 3-nitro-5-[oxo-[3-(2-oxo-1-pyrrolidinyl)propyl-propylsulfonylamino]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-nitro-5-[3-(2-oxopyrrolidin-1-yl)propyl-propylsulfonylcarbamoyl]benzoate Traditional Name: 3-[3-(2-ketopyrrolidino)propyl-propylsulfonyl-carbamoyl]-5-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(=CC(=C2)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C19H25N3O8S/c1-3-10-31(28,29)21(9-5-8-20-7-4-6-17(20)23)18(24)14-11-15(19(25)30-2)13-16(12-14)22(26)27/h11-13H,3-10H2,1-2H3