(6Z)-2-bromanyl-6-(phenylazanylmethylidene)cyclohexa-2,4-dien-1-one; phenol; zirconium

Systemtic Name: (6Z)-2-bromanyl-6-(phenylazanylmethylidene)cyclohexa-2,4-dien-1-one; phenol; zirconium Openeye Name: (6Z)-6-(anilinomethylene)-2-bromo-cyclohexa-2,4-dien-1-one; phenol; zirconium CAS Name: (6Z)-6-(anilinomethylidene)-2-bromo-1-cyclohexa-2,4-dienone; phenol; zirconium IUPAC Name: (6Z)-6-(anilinomethylidene)-2-bromocyclohexa-2,4-dien-1-one; phenol; zirconium Traditional Name: (6Z)-6-(anilinomethylene)-2-bromo-cyclohexa-2,4-dien-1-one; phenol; zirconium Formula: C25H22BrNO3Zr MolecularWeight: 555.57508

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC=C2C=CC=C(C2=O)Br.C1=CC=C(C=C1)O.C1=CC=C(C=C1)O.[Zr]

Isomeric SMILES

C1=CC=C(C=C1)N/C=C\2/C=CC=C(C2=O)Br.C1=CC=C(C=C1)O.C1=CC=C(C=C1)O.[Zr]

InChI

InChI=1S/C13H10BrNO.2C6H6O.Zr/c14-12-8-4-5-10(13(12)16)9-15-11-6-2-1-3-7-11;2*7-6-4-2-1-3-5-6;/h1-9,15H;2*1-5,7H;/b10-9-;;;