(E)-4-cyclohexyl-1-diazonio-3-[(phenylmethyl)carbamoyloxy]but-1-en-2-olate

Systemtic Name: (E)-4-cyclohexyl-1-diazonio-3-[(phenylmethyl)carbamoyloxy]but-1-en-2-olate Openeye Name: (E)-3-(benzylcarbamoyloxy)-4-cyclohexyl-1-diazonio-but-1-en-2-olate CAS Name: (E)-4-cyclohexyl-1-diazonio-3-[oxo-[(phenylmethyl)amino]methoxy]-1-buten-2-olate IUPAC Name: (E)-3-(benzylcarbamoyloxy)-4-cyclohexyl-1-diazoniobut-1-en-2-olate Traditional Name: (E)-3-(benzylcarbamoyloxy)-4-cyclohexyl-1-diazonio-but-1-en-2-olate Formula: C18H23N3O3 MolecularWeight: 329.39352

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CC(C(=C[N+]#N)[O-])OC(=O)NCC2=CC=CC=C2

Isomeric SMILES

C1CCC(CC1)CC(/C(=C\[N+]#N)/[O-])OC(=O)NCC2=CC=CC=C2

InChI

InChI=1S/C18H23N3O3/c19-21-13-16(22)17(11-14-7-3-1-4-8-14)24-18(23)20-12-15-9-5-2-6-10-15/h2,5-6,9-10,13-14,17H,1,3-4,7-8,11-12H2,(H-,20,22,23)/b16-13+