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

Systemtic Name: 2-azanyl-4-(3-bromanyl-4,5-dimethoxy-phenyl)-7,8-bis(oxidanyl)-4H-chromene-3-carbonitrile Openeye Name: 2-amino-4-(3-bromo-4,5-dimethoxy-phenyl)-7,8-dihydroxy-4H-chromene-3-carbonitrile CAS Name: 2-amino-4-(3-bromo-4,5-dimethoxyphenyl)-7,8-dihydroxy-4H-1-benzopyran-3-carbonitrile IUPAC Name: 2-amino-4-(3-bromo-4,5-dimethoxyphenyl)-7,8-dihydroxy-4H-chromene-3-carbonitrile Traditional Name: 2-amino-4-(3-bromo-4,5-dimethoxy-phenyl)-7,8-dihydroxy-4H-chromene-3-carbonitrile Formula: C18H15BrN2O5 MolecularWeight: 419.2261

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15BrN2O5/c1-24-13-6-8(5-11(19)17(13)25-2)14-9-3-4-12(22)15(23)16(9)26-18(21)10(14)7-20/h3-6,14,22-23H,21H2,1-2H3