(Z)-2-diazonio-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxidanylidene-but-1-en-1-olate

Systemtic Name: (Z)-2-diazonio-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxidanylidene-but-1-en-1-olate Openeye Name: (Z)-2-diazonio-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxo-but-1-en-1-olate CAS Name: (Z)-2-diazonio-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxo-1-buten-1-olate IUPAC Name: (Z)-2-diazonio-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxobut-1-en-1-olate Traditional Name: (Z)-2-diazonio-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-keto-but-1-en-1-olate Formula: C13H13N3O2 MolecularWeight: 243.26122

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=C(N1CCC2=CC=CC=C2C1)[O-])[N+]#N

Isomeric SMILES

CC(=O)/C(=C(\N1CCC2=CC=CC=C2C1)/[O-])/[N+]#N

InChI

InChI=1S/C13H13N3O2/c1-9(17)12(15-14)13(18)16-7-6-10-4-2-3-5-11(10)8-16/h2-5H,6-8H2,1H3