azanium (1Z,3E)-1-azanyl-2-cyano-5-(dicyanomethylidene)-6-methyl-hepta-1,3-dien-1-olate

Systemtic Name: azanium (1Z,3E)-1-azanyl-2-cyano-5-(dicyanomethylidene)-6-methyl-hepta-1,3-dien-1-olate Openeye Name: ammonium (1Z,3E)-1-amino-2-cyano-5-(dicyanomethylene)-6-methyl-hepta-1,3-dien-1-olate CAS Name: ammonium (1Z,3E)-1-amino-2-cyano-5-(dicyanomethylidene)-6-methyl-1-hepta-1,3-dienolate IUPAC Name: azanium (1Z,3E)-1-amino-2-cyano-5-(dicyanomethylidene)-6-methylhepta-1,3-dien-1-olate Traditional Name: ammonium (1Z,3E)-1-amino-2,6,6-tricyano-5-isopropyl-hexa-1,3,5-trien-1-olate Formula: C12H15N5O MolecularWeight: 245.2804

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=C(C#N)C#N)C=CC(=C(N)[O-])C#N.[NH4+]

Isomeric SMILES

CC(C)C(=C(C#N)C#N)/C=C/C(=C(\N)/[O-])/C#N.[NH4+]

InChI

InChI=1S/C12H12N4O.H3N/c1-8(2)11(10(6-14)7-15)4-3-9(5-13)12(16)17;/h3-4,8,17H,16H2,1-2H3;1H3/b4-3+,12-9-;