2-azanyl-4-[5-bromanyl-2-(cyanomethoxy)phenyl]-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-chromene-3-carbonitrile

Systemtic Name: 2-azanyl-4-[5-bromanyl-2-(cyanomethoxy)phenyl]-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-chromene-3-carbonitrile Openeye Name: 2-amino-4-[5-bromo-2-(cyanomethoxy)phenyl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile CAS Name: 2-amino-4-[5-bromo-2-(cyanomethoxy)phenyl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-1-benzopyran-3-carbonitrile IUPAC Name: 2-amino-4-[5-bromo-2-(cyanomethoxy)phenyl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile Traditional Name: 2-amino-4-[5-bromo-2-(cyanomethoxy)phenyl]-5-keto-7,7-dimethyl-6,8-dihydro-4H-chromene-3-carbonitrile Formula: C20H18BrN3O3 MolecularWeight: 428.27922

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(C(=C(O2)N)C#N)C3=C(C=CC(=C3)Br)OCC#N)C(=O)C1)C

Isomeric SMILES

CC1(CC2=C(C(C(=C(O2)N)C#N)C3=C(C=CC(=C3)Br)OCC#N)C(=O)C1)C

InChI

InChI=1S/C20H18BrN3O3/c1-20(2)8-14(25)18-16(9-20)27-19(24)13(10-23)17(18)12-7-11(21)3-4-15(12)26-6-5-22/h3-4,7,17H,6,8-9,24H2,1-2H3