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

Systemtic Name: (Z,3S)-1-diazonio-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylmethoxy-but-1-en-2-olate Openeye Name: (Z,3S)-4-benzyloxy-3-(tert-butoxycarbonylamino)-1-diazonio-but-1-en-2-olate CAS Name: (Z,3S)-1-diazonio-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-phenylmethoxy-1-buten-2-olate IUPAC Name: (Z,3S)-1-diazonio-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylmethoxybut-1-en-2-olate Traditional Name: (Z,3S)-4-benzoxy-3-(tert-butoxycarbonylamino)-1-diazonio-but-1-en-2-olate Formula: C16H21N3O4 MolecularWeight: 319.35564

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(COCC1=CC=CC=C1)C(=C[N+]#N)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](COCC1=CC=CC=C1)/C(=C/[N+]#N)/[O-]

InChI

InChI=1S/C16H21N3O4/c1-16(2,3)23-15(21)19-13(14(20)9-18-17)11-22-10-12-7-5-4-6-8-12/h4-9,13H,10-11H2,1-3H3,(H-,19,20,21)/b14-9-/t13-/m0/s1