[2-oxidanylidene-2-[(3-sulfamoylphenyl)amino]ethyl] 5-nitro-2-pyrrolidin-1-yl-benzoate

Systemtic Name: [2-oxidanylidene-2-[(3-sulfamoylphenyl)amino]ethyl] 5-nitro-2-pyrrolidin-1-yl-benzoate Openeye Name: [2-oxo-2-(3-sulfamoylanilino)ethyl] 5-nitro-2-pyrrolidin-1-yl-benzoate CAS Name: 5-nitro-2-(1-pyrrolidinyl)benzoic acid [2-oxo-2-(3-sulfamoylanilino)ethyl] ester IUPAC Name: [2-oxo-2-(3-sulfamoylanilino)ethyl] 5-nitro-2-pyrrolidin-1-ylbenzoate Traditional Name: 5-nitro-2-pyrrolidino-benzoic acid [2-keto-2-(3-sulfamoylanilino)ethyl] ester Formula: C19H20N4O7S MolecularWeight: 448.4497

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OCC(=O)NC3=CC(=CC=C3)S(=O)(=O)N

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OCC(=O)NC3=CC(=CC=C3)S(=O)(=O)N

InChI

InChI=1S/C19H20N4O7S/c20-31(28,29)15-5-3-4-13(10-15)21-18(24)12-30-19(25)16-11-14(23(26)27)6-7-17(16)22-8-1-2-9-22/h3-7,10-11H,1-2,8-9,12H2,(H,21,24)(H2,20,28,29)