1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl 3-nitro-4-pyrrolidin-1-yl-benzoate

Systemtic Name: 1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl 3-nitro-4-pyrrolidin-1-yl-benzoate Openeye Name: 1-[3-(3-pyridyl)-1,2,4-oxadiazol-5-yl]ethyl 3-nitro-4-pyrrolidin-1-yl-benzoate CAS Name: 3-nitro-4-(1-pyrrolidinyl)benzoic acid 1-[3-(3-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl ester IUPAC Name: 1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl 3-nitro-4-pyrrolidin-1-ylbenzoate Traditional Name: 3-nitro-4-pyrrolidino-benzoic acid 1-[3-(3-pyridyl)-1,2,4-oxadiazol-5-yl]ethyl ester Formula: C20H19N5O5 MolecularWeight: 409.39536

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC(=NO1)C2=CN=CC=C2)OC(=O)C3=CC(=C(C=C3)N4CCCC4)[N+](=O)[O-]

Isomeric SMILES

CC(C1=NC(=NO1)C2=CN=CC=C2)OC(=O)C3=CC(=C(C=C3)N4CCCC4)[N+](=O)[O-]

InChI

InChI=1S/C20H19N5O5/c1-13(19-22-18(23-30-19)15-5-4-8-21-12-15)29-20(26)14-6-7-16(17(11-14)25(27)28)24-9-2-3-10-24/h4-8,11-13H,2-3,9-10H2,1H3