[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl 3-nitro-4-pyrrolidin-1-yl-benzoate

Systemtic Name: [3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl 3-nitro-4-pyrrolidin-1-yl-benzoate Openeye Name: [3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl 3-nitro-4-pyrrolidin-1-yl-benzoate CAS Name: 3-nitro-4-(1-pyrrolidinyl)benzoic acid [3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl ester IUPAC Name: [3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl 3-nitro-4-pyrrolidin-1-ylbenzoate Traditional Name: 3-nitro-4-pyrrolidino-benzoic acid [3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl ester Formula: C20H17ClN4O5 MolecularWeight: 428.82578

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)C(=O)OCC3=NC(=NO3)C4=CC(=CC=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)C(=O)OCC3=NC(=NO3)C4=CC(=CC=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C20H17ClN4O5/c21-15-5-3-4-13(10-15)19-22-18(30-23-19)12-29-20(26)14-6-7-16(17(11-14)25(27)28)24-8-1-2-9-24/h3-7,10-11H,1-2,8-9,12H2