1-[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]ethyl 2-(2-oxidanylideneazepan-1-yl)ethanoate

Systemtic Name: 1-[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]ethyl 2-(2-oxidanylideneazepan-1-yl)ethanoate Openeye Name: 1-[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]ethyl 2-(2-oxoazepan-1-yl)acetate CAS Name: 2-(2-oxo-1-azepanyl)acetic acid 1-[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]ethyl ester IUPAC Name: 1-[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]ethyl 2-(2-oxoazepan-1-yl)acetate Traditional Name: 2-(2-ketoazepan-1-yl)acetic acid 1-[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]ethyl ester Formula: C18H20N4O6 MolecularWeight: 388.3746

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NN=C(O1)C2=CC=C(C=C2)[N+](=O)[O-])OC(=O)CN3CCCCCC3=O

Isomeric SMILES

CC(C1=NN=C(O1)C2=CC=C(C=C2)[N+](=O)[O-])OC(=O)CN3CCCCCC3=O

InChI

InChI=1S/C18H20N4O6/c1-12(27-16(24)11-21-10-4-2-3-5-15(21)23)17-19-20-18(28-17)13-6-8-14(9-7-13)22(25)26/h6-9,12H,2-5,10-11H2,1H3