2,8-bis(azanyl)-4-(3-bromanyl-4,5-dimethoxy-phenyl)-7-oxidanyl-4H-chromene-3-carbonitrile

Systemtic Name: 2,8-bis(azanyl)-4-(3-bromanyl-4,5-dimethoxy-phenyl)-7-oxidanyl-4H-chromene-3-carbonitrile Openeye Name: 2,8-diamino-4-(3-bromo-4,5-dimethoxy-phenyl)-7-hydroxy-4H-chromene-3-carbonitrile CAS Name: 2,8-diamino-4-(3-bromo-4,5-dimethoxyphenyl)-7-hydroxy-4H-1-benzopyran-3-carbonitrile IUPAC Name: 2,8-diamino-4-(3-bromo-4,5-dimethoxyphenyl)-7-hydroxy-4H-chromene-3-carbonitrile Traditional Name: 2,8-diamino-4-(3-bromo-4,5-dimethoxy-phenyl)-7-hydroxy-4H-chromene-3-carbonitrile Formula: C18H16BrN3O4 MolecularWeight: 418.24134

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16BrN3O4/c1-24-13-6-8(5-11(19)17(13)25-2)14-9-3-4-12(23)15(21)16(9)26-18(22)10(14)7-20/h3-6,14,23H,21-22H2,1-2H3