carbanide; (6Z)-4-isocyano-2-methyl-6-(phenylazanylmethylidene)cyclohexa-2,4-dien-1-one; zirconium(2+)

Systemtic Name: carbanide; (6Z)-4-isocyano-2-methyl-6-(phenylazanylmethylidene)cyclohexa-2,4-dien-1-one; zirconium(2+) Openeye Name: (6Z)-6-(anilinomethylene)-4-isocyano-2-methyl-cyclohexa-2,4-dien-1-one; carbanide; zirconium(2+) CAS Name: (6Z)-6-(anilinomethylidene)-4-isocyano-2-methyl-1-cyclohexa-2,4-dienone; carbanide; zirconium(2+) IUPAC Name: (6Z)-6-(anilinomethylidene)-4-isocyano-2-methylcyclohexa-2,4-dien-1-one; carbanide; zirconium(2+) Traditional Name: (6Z)-6-(anilinomethylene)-4-isocyano-2-methyl-cyclohexa-2,4-dien-1-one; carbanide; zirconium(2+) Formula: C17H18N2OZr MolecularWeight: 357.56162

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Descriptors Computed from Structure

Canonical SMILES:

[CH3-].[CH3-].CC1=CC(=CC(=CNC2=CC=CC=C2)C1=O)[N+]#[C-].[Zr+2]

Isomeric SMILES

[CH3-].[CH3-].CC1=CC(=C/C(=C/NC2=CC=CC=C2)/C1=O)[N+]#[C-].[Zr+2]

InChI

InChI=1S/C15H12N2O.2CH3.Zr/c1-11-8-14(16-2)9-12(15(11)18)10-17-13-6-4-3-5-7-13;;;/h3-10,17H,1H3;2*1H3;/q;2*-1;+2/b12-10-;;;