[2-(5-chloranylthiophen-2-yl)-2-oxidanylidene-ethyl] 3-nitro-4-pyrrolidin-1-yl-benzoate

Systemtic Name: [2-(5-chloranylthiophen-2-yl)-2-oxidanylidene-ethyl] 3-nitro-4-pyrrolidin-1-yl-benzoate Openeye Name: [2-(5-chloro-2-thienyl)-2-oxo-ethyl] 3-nitro-4-pyrrolidin-1-yl-benzoate CAS Name: 3-nitro-4-(1-pyrrolidinyl)benzoic acid [2-(5-chloro-2-thiophenyl)-2-oxoethyl] ester IUPAC Name: [2-(5-chlorothiophen-2-yl)-2-oxoethyl] 3-nitro-4-pyrrolidin-1-ylbenzoate Traditional Name: 3-nitro-4-pyrrolidino-benzoic acid [2-(5-chloro-2-thienyl)-2-keto-ethyl] ester Formula: C17H15ClN2O5S MolecularWeight: 394.8294

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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