(E)-2-diazonio-1-[3-[(E)-methoxyiminomethyl]-3,4-dihydro-1H-isoquinolin-2-yl]-3-oxidanylidene-but-1-en-1-olate

Systemtic Name: (E)-2-diazonio-1-[3-[(E)-methoxyiminomethyl]-3,4-dihydro-1H-isoquinolin-2-yl]-3-oxidanylidene-but-1-en-1-olate Openeye Name: (E)-2-diazonio-1-[3-[(E)-methoxyiminomethyl]-3,4-dihydro-1H-isoquinolin-2-yl]-3-oxo-but-1-en-1-olate CAS Name: (E)-2-diazonio-1-[3-[(E)-methoxyiminomethyl]-3,4-dihydro-1H-isoquinolin-2-yl]-3-oxo-1-buten-1-olate IUPAC Name: (E)-2-diazonio-1-[3-[(E)-methoxyiminomethyl]-3,4-dihydro-1H-isoquinolin-2-yl]-3-oxobut-1-en-1-olate Traditional Name: (E)-2-diazonio-3-keto-1-[3-[(E)-methyloximinomethyl]-3,4-dihydro-1H-isoquinolin-2-yl]but-1-en-1-olate Formula: C15H16N4O3 MolecularWeight: 300.31254

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=C(N1CC2=CC=CC=C2CC1C=NOC)[O-])[N+]#N

Isomeric SMILES

CC(=O)/C(=C(/N1CC2=CC=CC=C2CC1/C=N/OC)\[O-])/[N+]#N

InChI

InChI=1S/C15H16N4O3/c1-10(20)14(18-16)15(21)19-9-12-6-4-3-5-11(12)7-13(19)8-17-22-2/h3-6,8,13H,7,9H2,1-2H3/b17-8+