(6Z)-4-bromanyl-6-(methylaminomethylidene)-2-(2-phenylpropan-2-yl)cyclohexa-2,4-dien-1-one; methanidylbenzene; zirconium

Systemtic Name: (6Z)-4-bromanyl-6-(methylaminomethylidene)-2-(2-phenylpropan-2-yl)cyclohexa-2,4-dien-1-one; methanidylbenzene; zirconium Openeye Name: (6Z)-4-bromo-6-(methylaminomethylene)-2-(1-methyl-1-phenyl-ethyl)cyclohexa-2,4-dien-1-one; methanidylbenzene; zirconium CAS Name: (6Z)-4-bromo-6-(methylaminomethylidene)-2-(2-phenylpropan-2-yl)-1-cyclohexa-2,4-dienone; methanidylbenzene; zirconium IUPAC Name: (6Z)-4-bromo-6-(methylaminomethylidene)-2-(2-phenylpropan-2-yl)cyclohexa-2,4-dien-1-one; methanidylbenzene; zirconium Traditional Name: (6Z)-4-bromo-2-cumyl-6-(methylaminomethylene)cyclohexa-2,4-dien-1-one; methanidylbenzene; zirconium Formula: C48H50Br2N2O2Zr-2 MolecularWeight: 937.9548

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CC=CC=C1)C2=CC(=CC(=CNC)C2=O)Br.CC(C)(C1=CC=CC=C1)C2=CC(=CC(=CNC)C2=O)Br.[CH2-]C1=CC=CC=C1.[CH2-]C1=CC=CC=C1.[Zr]

Isomeric SMILES

CC(C1=CC(=C/C(=C/NC)/C1=O)Br)(C2=CC=CC=C2)C.CC(C1=CC(=C/C(=C/NC)/C1=O)Br)(C2=CC=CC=C2)C.[CH2-]C1=CC=CC=C1.[CH2-]C1=CC=CC=C1.[Zr]

InChI

InChI=1S/2C17H18BrNO.2C7H7.Zr/c2*1-17(2,13-7-5-4-6-8-13)15-10-14(18)9-12(11-19-3)16(15)20;2*1-7-5-3-2-4-6-7;/h2*4-11,19H,1-3H3;2*2-6H,1H2;/q;;2*-1;/b2*12-11-;;;