3-(3-bromanyl-7-methoxy-2,2-dimethyl-4-oxidanylidene-chromen-3-yl)propanenitrile

Systemtic Name: 3-(3-bromanyl-7-methoxy-2,2-dimethyl-4-oxidanylidene-chromen-3-yl)propanenitrile Openeye Name: 3-(3-bromo-7-methoxy-2,2-dimethyl-4-oxo-chroman-3-yl)propanenitrile CAS Name: 3-(3-bromo-7-methoxy-2,2-dimethyl-4-oxo-3,4-dihydro-2H-1-benzopyran-3-yl)propanenitrile IUPAC Name: 3-(3-bromo-7-methoxy-2,2-dimethyl-4-oxochromen-3-yl)propanenitrile Traditional Name: 3-(3-bromo-4-keto-7-methoxy-2,2-dimethyl-chroman-3-yl)propionitrile Formula: C15H16BrNO3 MolecularWeight: 338.19644

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(=O)C2=C(O1)C=C(C=C2)OC)(CCC#N)Br)C

Isomeric SMILES

CC1(C(C(=O)C2=C(O1)C=C(C=C2)OC)(CCC#N)Br)C

InChI

InChI=1S/C15H16BrNO3/c1-14(2)15(16,7-4-8-17)13(18)11-6-5-10(19-3)9-12(11)20-14/h5-6,9H,4,7H2,1-3H3