(E,3S)-4-cyclohexyl-1-diazonio-3-[(2-methylpropan-2-yl)oxycarbonylamino]but-1-en-2-olate

Systemtic Name: (E,3S)-4-cyclohexyl-1-diazonio-3-[(2-methylpropan-2-yl)oxycarbonylamino]but-1-en-2-olate Openeye Name: (E,3S)-3-(tert-butoxycarbonylamino)-4-cyclohexyl-1-diazonio-but-1-en-2-olate CAS Name: (E,3S)-4-cyclohexyl-1-diazonio-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-buten-2-olate IUPAC Name: (E,3S)-4-cyclohexyl-1-diazonio-3-[(2-methylpropan-2-yl)oxycarbonylamino]but-1-en-2-olate Traditional Name: (E,3S)-3-(tert-butoxycarbonylamino)-4-cyclohexyl-1-diazonio-but-1-en-2-olate Formula: C15H25N3O3 MolecularWeight: 295.3773

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1CCCCC1)C(=C[N+]#N)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CC1CCCCC1)/C(=C\[N+]#N)/[O-]

InChI

InChI=1S/C15H25N3O3/c1-15(2,3)21-14(20)18-12(13(19)10-17-16)9-11-7-5-4-6-8-11/h10-12H,4-9H2,1-3H3,(H-,18,19,20)/b13-10+/t12-/m0/s1