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

Systemtic Name: (6Z)-4-bromanyl-2-tert-butyl-6-(methylaminomethylidene)cyclohexa-2,4-dien-1-one; methanidylbenzene; zirconium Openeye Name: (6Z)-4-bromo-2-tert-butyl-6-(methylaminomethylene)cyclohexa-2,4-dien-1-one; methanidylbenzene; zirconium CAS Name: (6Z)-4-bromo-2-tert-butyl-6-(methylaminomethylidene)-1-cyclohexa-2,4-dienone; methanidylbenzene; zirconium IUPAC Name: (6Z)-4-bromo-2-tert-butyl-6-(methylaminomethylidene)cyclohexa-2,4-dien-1-one; methanidylbenzene; zirconium Traditional Name: (6Z)-4-bromo-2-tert-butyl-6-(methylaminomethylene)cyclohexa-2,4-dien-1-one; methanidylbenzene; zirconium Formula: C38H46Br2N2O2Zr-2 MolecularWeight: 813.81604

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/2C12H16BrNO.2C7H7.Zr/c2*1-12(2,3)10-6-9(13)5-8(7-14-4)11(10)15;2*1-7-5-3-2-4-6-7;/h2*5-7,14H,1-4H3;2*2-6H,1H2;/q;;2*-1;/b2*8-7-;;;