7-azanyl-4-(3-bromanyl-4,5-dimethoxy-phenyl)-2-oxidanylidene-chromene-3-carbonitrile

Systemtic Name: 7-azanyl-4-(3-bromanyl-4,5-dimethoxy-phenyl)-2-oxidanylidene-chromene-3-carbonitrile Openeye Name: 7-amino-4-(3-bromo-4,5-dimethoxy-phenyl)-2-oxo-chromene-3-carbonitrile CAS Name: 7-amino-4-(3-bromo-4,5-dimethoxyphenyl)-2-oxo-1-benzopyran-3-carbonitrile IUPAC Name: 7-amino-4-(3-bromo-4,5-dimethoxyphenyl)-2-oxochromene-3-carbonitrile Traditional Name: 7-amino-4-(3-bromo-4,5-dimethoxy-phenyl)-2-keto-chromene-3-carbonitrile Formula: C18H13BrN2O4 MolecularWeight: 401.21082

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C2=C(C(=O)OC3=C2C=CC(=C3)N)C#N)Br)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)C2=C(C(=O)OC3=C2C=CC(=C3)N)C#N)Br)OC

InChI

InChI=1S/C18H13BrN2O4/c1-23-15-6-9(5-13(19)17(15)24-2)16-11-4-3-10(21)7-14(11)25-18(22)12(16)8-20/h3-7H,21H2,1-2H3