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

Systemtic Name: (E)-1-diazonio-4-(4-methoxyphenyl)-3-[(phenylmethyl)carbamoyloxy]but-1-en-2-olate Openeye Name: (E)-3-(benzylcarbamoyloxy)-1-diazonio-4-(4-methoxyphenyl)but-1-en-2-olate CAS Name: (E)-1-diazonio-4-(4-methoxyphenyl)-3-[oxo-[(phenylmethyl)amino]methoxy]-1-buten-2-olate IUPAC Name: (E)-3-(benzylcarbamoyloxy)-1-diazonio-4-(4-methoxyphenyl)but-1-en-2-olate Traditional Name: (E)-3-(benzylcarbamoyloxy)-1-diazonio-4-(4-methoxyphenyl)but-1-en-2-olate Formula: C19H19N3O4 MolecularWeight: 353.37186

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CC(C(=C[N+]#N)[O-])OC(=O)NCC2=CC=CC=C2

Isomeric SMILES

COC1=CC=C(C=C1)CC(/C(=C\[N+]#N)/[O-])OC(=O)NCC2=CC=CC=C2

InChI

InChI=1S/C19H19N3O4/c1-25-16-9-7-14(8-10-16)11-18(17(23)13-22-20)26-19(24)21-12-15-5-3-2-4-6-15/h2-10,13,18H,11-12H2,1H3,(H-,21,23,24)/b17-13+