2-bromanyl-4-(3,3,6-trimethyl-4-oxidanylidene-2H-pyrano[2,3-c]pyrazol-1-yl)benzenecarbonitrile

Systemtic Name: 2-bromanyl-4-(3,3,6-trimethyl-4-oxidanylidene-2H-pyrano[2,3-c]pyrazol-1-yl)benzenecarbonitrile Openeye Name: 2-bromo-4-(3,3,6-trimethyl-4-oxo-2H-pyrano[2,3-c]pyrazol-1-yl)benzonitrile CAS Name: 2-bromo-4-(3,3,6-trimethyl-4-oxo-2H-pyrano[2,3-c]pyrazol-1-yl)benzonitrile IUPAC Name: 2-bromo-4-(3,3,6-trimethyl-4-oxo-2H-pyrano[2,3-c]pyrazol-1-yl)benzonitrile Traditional Name: 2-bromo-4-(4-keto-3,3,6-trimethyl-2H-pyrano[2,3-c]pyrazol-1-yl)benzonitrile Formula: C16H14BrN3O2 MolecularWeight: 360.20526

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C2=C(O1)N(NC2(C)C)C3=CC(=C(C=C3)C#N)Br

Isomeric SMILES

CC1=CC(=O)C2=C(O1)N(NC2(C)C)C3=CC(=C(C=C3)C#N)Br

InChI

InChI=1S/C16H14BrN3O2/c1-9-6-13(21)14-15(22-9)20(19-16(14,2)3)11-5-4-10(8-18)12(17)7-11/h4-7,19H,1-3H3