4-[(1E,3Z,5E)-4,6-dicyano-6-isocyano-5-phenyl-hexa-1,3,5-trienyl]-5-methyl-2-phenyl-pyrazol-3-olate

Systemtic Name: 4-[(1E,3Z,5E)-4,6-dicyano-6-isocyano-5-phenyl-hexa-1,3,5-trienyl]-5-methyl-2-phenyl-pyrazol-3-olate Openeye Name: 4-[(1E,3Z,5E)-4,6-dicyano-6-isocyano-5-phenyl-hexa-1,3,5-trienyl]-5-methyl-2-phenyl-pyrazol-3-olate CAS Name: 4-[(1E,3Z,5E)-4,6-dicyano-6-isocyano-5-phenylhexa-1,3,5-trienyl]-5-methyl-2-phenyl-3-pyrazololate IUPAC Name: 4-[(1E,3Z,5E)-4,6-dicyano-6-isocyano-5-phenylhexa-1,3,5-trienyl]-5-methyl-2-phenylpyrazol-3-olate Traditional Name: 4-[(1E,3Z,5E)-4,6-dicyano-6-isocyano-5-phenyl-hexa-1,3,5-trienyl]-5-methyl-2-phenyl-pyrazol-3-olate Formula: C25H16N5O- MolecularWeight: 402.42744

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=CC=C(C#N)C(=C(C#N)[N+]#[C-])C2=CC=CC=C2)[O-])C3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1/C=C/C=C(\C#N)/C(=C(\C#N)/[N+]#[C-])/C2=CC=CC=C2)[O-])C3=CC=CC=C3

InChI

InChI=1S/C25H17N5O/c1-18-22(25(31)30(29-18)21-13-7-4-8-14-21)15-9-12-20(16-26)24(23(17-27)28-2)19-10-5-3-6-11-19/h3-15,31H,1H3/p-1/b15-9+,20-12+,24-23+