(6Z)-2-tert-butyl-6-(phenylazanylmethylidene)cyclohexa-2,4-dien-1-one; tris(chloranyl)niobium

Systemtic Name: (6Z)-2-tert-butyl-6-(phenylazanylmethylidene)cyclohexa-2,4-dien-1-one; tris(chloranyl)niobium Openeye Name: (6Z)-6-(anilinomethylene)-2-tert-butyl-cyclohexa-2,4-dien-1-one; trichloroniobium CAS Name: (6Z)-6-(anilinomethylidene)-2-tert-butyl-1-cyclohexa-2,4-dienone; trichloroniobium IUPAC Name: (6Z)-6-(anilinomethylidene)-2-tert-butylcyclohexa-2,4-dien-1-one; trichloroniobium Traditional Name: (6Z)-6-(anilinomethylene)-2-tert-butyl-cyclohexa-2,4-dien-1-one; trichloroniobium Formula: C17H19Cl3NNbO MolecularWeight: 452.60424

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=CC(=CNC2=CC=CC=C2)C1=O.Cl[Nb](Cl)Cl

Isomeric SMILES

CC(C)(C)C1=CC=C/C(=C/NC2=CC=CC=C2)/C1=O.Cl[Nb](Cl)Cl

InChI

InChI=1S/C17H19NO.3ClH.Nb/c1-17(2,3)15-11-7-8-13(16(15)19)12-18-14-9-5-4-6-10-14;;;;/h4-12,18H,1-3H3;3*1H;/q;;;;+3/p-3/b13-12-;;;;