(2S,5R)-1-butyl-5-cyano-3-[(3-fluorophenyl)diazenyl]-4-methyl-6-oxidanylidene-2,5-dihydropyridin-2-olate

Systemtic Name: (2S,5R)-1-butyl-5-cyano-3-[(3-fluorophenyl)diazenyl]-4-methyl-6-oxidanylidene-2,5-dihydropyridin-2-olate Openeye Name: (2S,5R)-1-butyl-5-cyano-3-(3-fluorophenyl)azo-4-methyl-6-oxo-2,5-dihydropyridin-2-olate CAS Name: (2S,5R)-1-butyl-5-cyano-3-(3-fluorophenyl)azo-4-methyl-6-oxo-2,5-dihydropyridin-2-olate IUPAC Name: (2S,5R)-1-butyl-5-cyano-3-[(3-fluorophenyl)diazenyl]-4-methyl-6-oxo-2,5-dihydropyridin-2-olate Traditional Name: (2S,5R)-1-butyl-5-cyano-3-(3-fluorophenyl)azo-6-keto-4-methyl-2,5-dihydropyridin-2-olate Formula: C17H18FN4O2- MolecularWeight: 329.348823

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(C(=C(C(C1=O)C#N)C)N=NC2=CC(=CC=C2)F)[O-]

Isomeric SMILES

CCCCN1[C@H](C(=C([C@@H](C1=O)C#N)C)N=NC2=CC(=CC=C2)F)[O-]

InChI

InChI=1S/C17H18FN4O2/c1-3-4-8-22-16(23)14(10-19)11(2)15(17(22)24)21-20-13-7-5-6-12(18)9-13/h5-7,9,14,17H,3-4,8H2,1-2H3/q-1/t14-,17-/m0/s1