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

Systemtic Name: [2-(2-chlorophenyl)-2-oxidanylidene-ethyl] 3-nitro-4-pyrrolidin-1-yl-benzoate Openeye Name: [2-(2-chlorophenyl)-2-oxo-ethyl] 3-nitro-4-pyrrolidin-1-yl-benzoate CAS Name: 3-nitro-4-(1-pyrrolidinyl)benzoic acid [2-(2-chlorophenyl)-2-oxoethyl] ester IUPAC Name: [2-(2-chlorophenyl)-2-oxoethyl] 3-nitro-4-pyrrolidin-1-ylbenzoate Traditional Name: 3-nitro-4-pyrrolidino-benzoic acid [2-(2-chlorophenyl)-2-keto-ethyl] ester Formula: C19H17ClN2O5 MolecularWeight: 388.80168

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)C(=O)OCC(=O)C3=CC=CC=C3Cl)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)C(=O)OCC(=O)C3=CC=CC=C3Cl)[N+](=O)[O-]

InChI

InChI=1S/C19H17ClN2O5/c20-15-6-2-1-5-14(15)18(23)12-27-19(24)13-7-8-16(17(11-13)22(25)26)21-9-3-4-10-21/h1-2,5-8,11H,3-4,9-10,12H2