2-azanyl-4-(3-bromanyl-4-methoxy-phenyl)-7-methyl-5-oxidanylidene-4,6,7,8-tetrahydrochromene-3-carbonitrile

Systemtic Name: 2-azanyl-4-(3-bromanyl-4-methoxy-phenyl)-7-methyl-5-oxidanylidene-4,6,7,8-tetrahydrochromene-3-carbonitrile Openeye Name: 2-amino-4-(3-bromo-4-methoxy-phenyl)-7-methyl-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile CAS Name: 2-amino-4-(3-bromo-4-methoxyphenyl)-7-methyl-5-oxo-4,6,7,8-tetrahydro-1-benzopyran-3-carbonitrile IUPAC Name: 2-amino-4-(3-bromo-4-methoxyphenyl)-7-methyl-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile Traditional Name: 2-amino-4-(3-bromo-4-methoxy-phenyl)-5-keto-7-methyl-4,6,7,8-tetrahydrochromene-3-carbonitrile Formula: C18H17BrN2O3 MolecularWeight: 389.24318

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=C(C(C(=C(O2)N)C#N)C3=CC(=C(C=C3)OC)Br)C(=O)C1

Isomeric SMILES

CC1CC2=C(C(C(=C(O2)N)C#N)C3=CC(=C(C=C3)OC)Br)C(=O)C1

InChI

InChI=1S/C18H17BrN2O3/c1-9-5-13(22)17-15(6-9)24-18(21)11(8-20)16(17)10-3-4-14(23-2)12(19)7-10/h3-4,7,9,16H,5-6,21H2,1-2H3