[2-(5-chloranylthiophen-2-yl)-2-oxidanylidene-ethyl] 5-nitro-2-pyrrolidin-1-yl-benzoate

Systemtic Name: [2-(5-chloranylthiophen-2-yl)-2-oxidanylidene-ethyl] 5-nitro-2-pyrrolidin-1-yl-benzoate Openeye Name: [2-(5-chloro-2-thienyl)-2-oxo-ethyl] 5-nitro-2-pyrrolidin-1-yl-benzoate CAS Name: 5-nitro-2-(1-pyrrolidinyl)benzoic acid [2-(5-chloro-2-thiophenyl)-2-oxoethyl] ester IUPAC Name: [2-(5-chlorothiophen-2-yl)-2-oxoethyl] 5-nitro-2-pyrrolidin-1-ylbenzoate Traditional Name: 5-nitro-2-pyrrolidino-benzoic acid [2-(5-chloro-2-thienyl)-2-keto-ethyl] ester Formula: C17H15ClN2O5S MolecularWeight: 394.8294

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OCC(=O)C3=CC=C(S3)Cl

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OCC(=O)C3=CC=C(S3)Cl

InChI

InChI=1S/C17H15ClN2O5S/c18-16-6-5-15(26-16)14(21)10-25-17(22)12-9-11(20(23)24)3-4-13(12)19-7-1-2-8-19/h3-6,9H,1-2,7-8,10H2