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

Systemtic Name: [2-oxidanylidene-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] 3-nitro-4-pyrrolidin-1-yl-benzoate Openeye Name: [2-oxo-2-[(4-phenylthiazol-2-yl)amino]ethyl] 3-nitro-4-pyrrolidin-1-yl-benzoate CAS Name: 3-nitro-4-(1-pyrrolidinyl)benzoic acid [2-oxo-2-[(4-phenyl-2-thiazolyl)amino]ethyl] ester IUPAC Name: [2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] 3-nitro-4-pyrrolidin-1-ylbenzoate Traditional Name: 3-nitro-4-pyrrolidino-benzoic acid [2-keto-2-[(4-phenylthiazol-2-yl)amino]ethyl] ester Formula: C22H20N4O5S MolecularWeight: 452.483

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)C(=O)OCC(=O)NC3=NC(=CS3)C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)C(=O)OCC(=O)NC3=NC(=CS3)C4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H20N4O5S/c27-20(24-22-23-17(14-32-22)15-6-2-1-3-7-15)13-31-21(28)16-8-9-18(19(12-16)26(29)30)25-10-4-5-11-25/h1-3,6-9,12,14H,4-5,10-11,13H2,(H,23,24,27)