[2-oxidanylidene-2-[[phenyl(thiophen-2-yl)methyl]amino]ethyl] 3-nitro-4-pyrrolidin-1-yl-benzoate

Systemtic Name: [2-oxidanylidene-2-[[phenyl(thiophen-2-yl)methyl]amino]ethyl] 3-nitro-4-pyrrolidin-1-yl-benzoate Openeye Name: [2-oxo-2-[[phenyl(2-thienyl)methyl]amino]ethyl] 3-nitro-4-pyrrolidin-1-yl-benzoate CAS Name: 3-nitro-4-(1-pyrrolidinyl)benzoic acid [2-oxo-2-[[phenyl(thiophen-2-yl)methyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-[[phenyl(thiophen-2-yl)methyl]amino]ethyl] 3-nitro-4-pyrrolidin-1-ylbenzoate Traditional Name: 3-nitro-4-pyrrolidino-benzoic acid [2-keto-2-[[phenyl(2-thienyl)methyl]amino]ethyl] ester Formula: C24H23N3O5S MolecularWeight: 465.52152

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)C(=O)OCC(=O)NC(C3=CC=CC=C3)C4=CC=CS4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)C(=O)OCC(=O)NC(C3=CC=CC=C3)C4=CC=CS4)[N+](=O)[O-]

InChI

InChI=1S/C24H23N3O5S/c28-22(25-23(21-9-6-14-33-21)17-7-2-1-3-8-17)16-32-24(29)18-10-11-19(20(15-18)27(30)31)26-12-4-5-13-26/h1-3,6-11,14-15,23H,4-5,12-13,16H2,(H,25,28)