4-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)-2,7,7-trimethyl-5-oxidanylidene-1,4,6,8-tetrahydroquinoline-3-carbonitrile

Systemtic Name: 4-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)-2,7,7-trimethyl-5-oxidanylidene-1,4,6,8-tetrahydroquinoline-3-carbonitrile Openeye Name: 4-(3-bromo-4-hydroxy-5-methoxy-phenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carbonitrile CAS Name: 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carbonitrile Traditional Name: 4-(3-bromo-4-hydroxy-5-methoxy-phenyl)-5-keto-2,7,7-trimethyl-1,4,6,8-tetrahydroquinoline-3-carbonitrile Formula: C20H21BrN2O3 MolecularWeight: 417.29634

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC(=C(C(=C3)Br)O)OC)C#N

Isomeric SMILES

CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC(=C(C(=C3)Br)O)OC)C#N

InChI

InChI=1S/C20H21BrN2O3/c1-10-12(9-22)17(11-5-13(21)19(25)16(6-11)26-4)18-14(23-10)7-20(2,3)8-15(18)24/h5-6,17,23,25H,7-8H2,1-4H3