(1Z)-2-diazonio-1-oxidanyl-3-oxidanylidene-5-phenylmethoxy-hepta-1,6-dien-1-olate

Systemtic Name: (1Z)-2-diazonio-1-oxidanyl-3-oxidanylidene-5-phenylmethoxy-hepta-1,6-dien-1-olate Openeye Name: (1Z)-5-benzyloxy-2-diazonio-1-hydroxy-3-oxo-hepta-1,6-dien-1-olate CAS Name: (1Z)-2-diazonio-1-hydroxy-3-oxo-5-phenylmethoxy-1-hepta-1,6-dienolate IUPAC Name: (1Z)-2-diazonio-1-hydroxy-3-oxo-5-phenylmethoxyhepta-1,6-dien-1-olate Traditional Name: (1Z)-5-benzoxy-2-diazonio-1-hydroxy-3-keto-hepta-1,6-dien-1-olate Formula: C14H14N2O4 MolecularWeight: 274.27196

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14N2O4/c1-2-11(8-12(17)13(16-15)14(18)19)20-9-10-6-4-3-5-7-10/h2-7,11H,1,8-9H2,(H-,17,18,19)