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

Systemtic Name: 2-azanyl-4-(3-bromanyl-4-methoxy-phenyl)-5-oxidanylidene-4,4a,6,7,8,8a-hexahydrochromene-3-carbonitrile Openeye Name: 2-amino-4-(3-bromo-4-methoxy-phenyl)-5-oxo-4,4a,6,7,8,8a-hexahydrochromene-3-carbonitrile CAS Name: 2-amino-4-(3-bromo-4-methoxyphenyl)-5-oxo-4,4a,6,7,8,8a-hexahydro-1-benzopyran-3-carbonitrile IUPAC Name: 2-amino-4-(3-bromo-4-methoxyphenyl)-5-oxo-4,4a,6,7,8,8a-hexahydrochromene-3-carbonitrile Traditional Name: 2-amino-4-(3-bromo-4-methoxy-phenyl)-5-keto-4,4a,6,7,8,8a-hexahydrochromene-3-carbonitrile Formula: C17H17BrN2O3 MolecularWeight: 377.23248

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2C3C(CCCC3=O)OC(=C2C#N)N)Br

Isomeric SMILES

COC1=C(C=C(C=C1)C2C3C(CCCC3=O)OC(=C2C#N)N)Br

InChI

InChI=1S/C17H17BrN2O3/c1-22-13-6-5-9(7-11(13)18)15-10(8-19)17(20)23-14-4-2-3-12(21)16(14)15/h5-7,14-16H,2-4,20H2,1H3