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

Systemtic Name: [5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl 4-(azepan-1-yl)-3-nitro-benzoate Openeye Name: [5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl 4-(azepan-1-yl)-3-nitro-benzoate CAS Name: 4-(1-azepanyl)-3-nitrobenzoic acid [5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl ester IUPAC Name: [5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl 4-(azepan-1-yl)-3-nitrobenzoate Traditional Name: 4-(azepan-1-yl)-3-nitro-benzoic acid [5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl ester Formula: C23H24N4O6 MolecularWeight: 452.45986

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN=C(O2)COC(=O)C3=CC(=C(C=C3)N4CCCCCC4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN=C(O2)COC(=O)C3=CC(=C(C=C3)N4CCCCCC4)[N+](=O)[O-]

InChI

InChI=1S/C23H24N4O6/c1-31-18-9-6-16(7-10-18)22-25-24-21(33-22)15-32-23(28)17-8-11-19(20(14-17)27(29)30)26-12-4-2-3-5-13-26/h6-11,14H,2-5,12-13,15H2,1H3