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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C2C(=C(OC3=C2C(=O)CCC3)N)C#N)Br)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)C2C(=C(OC3=C2C(=O)CCC3)N)C#N)Br)OC

InChI

InChI=1S/C18H17BrN2O4/c1-23-14-7-9(6-11(19)17(14)24-2)15-10(8-20)18(21)25-13-5-3-4-12(22)16(13)15/h6-7,15H,3-5,21H2,1-2H3