6-bromanyl-2-tert-butyl-4-oxidanylidene-1H-quinoline-3-carbonitrile

Systemtic Name: 6-bromanyl-2-tert-butyl-4-oxidanylidene-1H-quinoline-3-carbonitrile Openeye Name: 6-bromo-2-tert-butyl-4-oxo-1H-quinoline-3-carbonitrile CAS Name: 6-bromo-2-tert-butyl-4-oxo-1H-quinoline-3-carbonitrile IUPAC Name: 6-bromo-2-tert-butyl-4-oxo-1H-quinoline-3-carbonitrile Traditional Name: 6-bromo-2-tert-butyl-4-keto-1H-quinoline-3-carbonitrile Formula: C14H13BrN2O MolecularWeight: 305.16982

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C(=O)C2=C(N1)C=CC(=C2)Br)C#N

Isomeric SMILES

CC(C)(C)C1=C(C(=O)C2=C(N1)C=CC(=C2)Br)C#N

InChI

InChI=1S/C14H13BrN2O/c1-14(2,3)13-10(7-16)12(18)9-6-8(15)4-5-11(9)17-13/h4-6H,1-3H3,(H,17,18)