8-azanyl-6-(3-bromanyl-4,5-dimethoxy-phenyl)-2-oxidanylidene-3,6-dihydropyrano[3,2-g][1,3]benzoxazole-7-carbonitrile

Systemtic Name: 8-azanyl-6-(3-bromanyl-4,5-dimethoxy-phenyl)-2-oxidanylidene-3,6-dihydropyrano[3,2-g][1,3]benzoxazole-7-carbonitrile Openeye Name: 8-amino-6-(3-bromo-4,5-dimethoxy-phenyl)-2-oxo-3,6-dihydropyrano[3,2-g][1,3]benzoxazole-7-carbonitrile CAS Name: 8-amino-6-(3-bromo-4,5-dimethoxyphenyl)-2-oxo-3,6-dihydropyrano[3,2-g][1,3]benzoxazole-7-carbonitrile IUPAC Name: 8-amino-6-(3-bromo-4,5-dimethoxyphenyl)-2-oxo-3,6-dihydropyrano[3,2-g][1,3]benzoxazole-7-carbonitrile Traditional Name: 8-amino-6-(3-bromo-4,5-dimethoxy-phenyl)-2-keto-3,6-dihydropyrano[3,2-g][1,3]benzoxazole-7-carbonitrile Formula: C19H14BrN3O5 MolecularWeight: 444.23556

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C2C3=C(C4=C(C=C3)NC(=O)O4)OC(=C2C#N)N)Br)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)C2C3=C(C4=C(C=C3)NC(=O)O4)OC(=C2C#N)N)Br)OC

InChI

InChI=1S/C19H14BrN3O5/c1-25-13-6-8(5-11(20)16(13)26-2)14-9-3-4-12-17(28-19(24)23-12)15(9)27-18(22)10(14)7-21/h3-6,14H,22H2,1-2H3,(H,23,24)