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

Systemtic Name: [3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 3-nitro-4-pyrrolidin-1-yl-benzoate Openeye Name: [3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 3-nitro-4-pyrrolidin-1-yl-benzoate CAS Name: 3-nitro-4-(1-pyrrolidinyl)benzoic acid [3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl ester IUPAC Name: [3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 3-nitro-4-pyrrolidin-1-ylbenzoate Traditional Name: 3-nitro-4-pyrrolidino-benzoic acid (3-o-phenetyl-1,2,4-oxadiazol-5-yl)methyl ester Formula: C22H22N4O6 MolecularWeight: 438.43328

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C2=NOC(=N2)COC(=O)C3=CC(=C(C=C3)N4CCCC4)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC=CC=C1C2=NOC(=N2)COC(=O)C3=CC(=C(C=C3)N4CCCC4)[N+](=O)[O-]

InChI

InChI=1S/C22H22N4O6/c1-2-30-19-8-4-3-7-16(19)21-23-20(32-24-21)14-31-22(27)15-9-10-17(18(13-15)26(28)29)25-11-5-6-12-25/h3-4,7-10,13H,2,5-6,11-12,14H2,1H3