(E)-5-azanyl-1-diazonio-6-[(2-methoxy-2-oxidanylidene-ethyl)-phenylmethoxycarbonyl-amino]-6-oxidanylidene-hex-1-en-2-olate

Systemtic Name: (E)-5-azanyl-1-diazonio-6-[(2-methoxy-2-oxidanylidene-ethyl)-phenylmethoxycarbonyl-amino]-6-oxidanylidene-hex-1-en-2-olate Openeye Name: (E)-5-amino-6-[benzyloxycarbonyl-(2-methoxy-2-oxo-ethyl)amino]-1-diazonio-6-oxo-hex-1-en-2-olate CAS Name: (E)-5-amino-1-diazonio-6-[(2-methoxy-2-oxoethyl)-phenylmethoxycarbonylamino]-6-oxo-1-hexen-2-olate IUPAC Name: (E)-5-amino-1-diazonio-6-[(2-methoxy-2-oxoethyl)-phenylmethoxycarbonylamino]-6-oxohex-1-en-2-olate Traditional Name: (E)-5-amino-6-[carbobenzoxy-(2-keto-2-methoxy-ethyl)amino]-1-diazonio-6-keto-hex-1-en-2-olate Formula: C17H20N4O6 MolecularWeight: 376.3639

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN(C(=O)C(CCC(=C[N+]#N)[O-])N)C(=O)OCC1=CC=CC=C1

Isomeric SMILES

COC(=O)CN(C(=O)C(CC/C(=C\[N+]#N)/[O-])N)C(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C17H20N4O6/c1-26-15(23)10-21(16(24)14(18)8-7-13(22)9-20-19)17(25)27-11-12-5-3-2-4-6-12/h2-6,9,14H,7-8,10-11,18H2,1H3/b13-9+