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

Systemtic Name: [5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl 2-(2-oxidanylideneazepan-1-yl)ethanoate Openeye Name: [5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl 2-(2-oxoazepan-1-yl)acetate CAS Name: 2-(2-oxo-1-azepanyl)acetic acid [5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl ester IUPAC Name: [5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl 2-(2-oxoazepan-1-yl)acetate Traditional Name: 2-(2-ketoazepan-1-yl)acetic acid [5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl ester Formula: C17H18N4O6 MolecularWeight: 374.34802

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)N(CC1)CC(=O)OCC2=NN=C(O2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCC(=O)N(CC1)CC(=O)OCC2=NN=C(O2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H18N4O6/c22-15-4-2-1-3-9-20(15)10-16(23)26-11-14-18-19-17(27-14)12-5-7-13(8-6-12)21(24)25/h5-8H,1-4,9-11H2