2-chloranyl-4-(3,6,6-trimethyl-4-oxidanylidene-5,7-dihydroindazol-1-yl)benzenecarbonitrile

Systemtic Name: 2-chloranyl-4-(3,6,6-trimethyl-4-oxidanylidene-5,7-dihydroindazol-1-yl)benzenecarbonitrile Openeye Name: 2-chloro-4-(3,6,6-trimethyl-4-oxo-5,7-dihydroindazol-1-yl)benzonitrile CAS Name: 2-chloro-4-(3,6,6-trimethyl-4-oxo-5,7-dihydroindazol-1-yl)benzonitrile IUPAC Name: 2-chloro-4-(3,6,6-trimethyl-4-oxo-5,7-dihydroindazol-1-yl)benzonitrile Traditional Name: 2-chloro-4-(4-keto-3,6,6-trimethyl-5,7-dihydroindazol-1-yl)benzonitrile Formula: C17H16ClN3O MolecularWeight: 313.78144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C(=O)CC(C2)(C)C)C3=CC(=C(C=C3)C#N)Cl

Isomeric SMILES

CC1=NN(C2=C1C(=O)CC(C2)(C)C)C3=CC(=C(C=C3)C#N)Cl

InChI

InChI=1S/C17H16ClN3O/c1-10-16-14(7-17(2,3)8-15(16)22)21(20-10)12-5-4-11(9-19)13(18)6-12/h4-6H,7-8H2,1-3H3