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

Systemtic Name: 2-azanyl-4-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)-7-methyl-5-oxidanylidene-4,6,7,8-tetrahydrochromene-3-carbonitrile Openeye Name: 2-amino-4-(3-bromo-4-hydroxy-5-methoxy-phenyl)-7-methyl-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile CAS Name: 2-amino-4-(3-bromo-4-hydroxy-5-methoxyphenyl)-7-methyl-5-oxo-4,6,7,8-tetrahydro-1-benzopyran-3-carbonitrile IUPAC Name: 2-amino-4-(3-bromo-4-hydroxy-5-methoxyphenyl)-7-methyl-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile Traditional Name: 2-amino-4-(3-bromo-4-hydroxy-5-methoxy-phenyl)-5-keto-7-methyl-4,6,7,8-tetrahydrochromene-3-carbonitrile Formula: C18H17BrN2O4 MolecularWeight: 405.24258

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17BrN2O4/c1-8-3-12(22)16-13(4-8)25-18(21)10(7-20)15(16)9-5-11(19)17(23)14(6-9)24-2/h5-6,8,15,23H,3-4,21H2,1-2H3