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

Systemtic Name: [2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl] 3-nitro-4-pyrrolidin-1-yl-benzoate Openeye Name: [2-oxo-2-(2-thienylmethylamino)ethyl] 3-nitro-4-pyrrolidin-1-yl-benzoate CAS Name: 3-nitro-4-(1-pyrrolidinyl)benzoic acid [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 3-nitro-4-pyrrolidin-1-ylbenzoate Traditional Name: 3-nitro-4-pyrrolidino-benzoic acid [2-keto-2-(2-thenylamino)ethyl] ester Formula: C18H19N3O5S MolecularWeight: 389.42556

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)C(=O)OCC(=O)NCC3=CC=CS3)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)C(=O)OCC(=O)NCC3=CC=CS3)[N+](=O)[O-]

InChI

InChI=1S/C18H19N3O5S/c22-17(19-11-14-4-3-9-27-14)12-26-18(23)13-5-6-15(16(10-13)21(24)25)20-7-1-2-8-20/h3-6,9-10H,1-2,7-8,11-12H2,(H,19,22)