(E)-5-azanyl-6-[(2-methoxy-2-oxidanylidene-ethyl)-phenylmethoxycarbonyl-amino]-2-oxidanyl-6-oxidanylidene-hex-1-ene-1-diazonium

Systemtic Name: (E)-5-azanyl-6-[(2-methoxy-2-oxidanylidene-ethyl)-phenylmethoxycarbonyl-amino]-2-oxidanyl-6-oxidanylidene-hex-1-ene-1-diazonium Openeye Name: (E)-5-amino-6-[benzyloxycarbonyl-(2-methoxy-2-oxo-ethyl)amino]-2-hydroxy-6-oxo-hex-1-ene-1-diazonium CAS Name: (E)-5-amino-2-hydroxy-6-[(2-methoxy-2-oxoethyl)-phenylmethoxycarbonylamino]-6-oxo-1-hexene-1-diazonium IUPAC Name: (E)-5-amino-2-hydroxy-6-[(2-methoxy-2-oxoethyl)-phenylmethoxycarbonylamino]-6-oxohex-1-ene-1-diazonium Traditional Name: (E)-5-amino-6-[carbobenzoxy-(2-keto-2-methoxy-ethyl)amino]-2-hydroxy-6-keto-hex-1-ene-1-diazonium Formula: C17H21N4O6+ MolecularWeight: 377.37184

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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/p+1/b13-9+