2-azanyl-4-(3-bromanyl-4-methoxy-phenyl)-6-(hydroxymethyl)-8-oxidanylidene-4H-pyrano[3,2-b]pyran-3-carbonitrile

Systemtic Name: 2-azanyl-4-(3-bromanyl-4-methoxy-phenyl)-6-(hydroxymethyl)-8-oxidanylidene-4H-pyrano[3,2-b]pyran-3-carbonitrile Openeye Name: 2-amino-4-(3-bromo-4-methoxy-phenyl)-6-(hydroxymethyl)-8-oxo-4H-pyrano[3,2-b]pyran-3-carbonitrile CAS Name: 2-amino-4-(3-bromo-4-methoxyphenyl)-6-(hydroxymethyl)-8-oxo-4H-pyrano[3,2-b]pyran-3-carbonitrile IUPAC Name: 2-amino-4-(3-bromo-4-methoxyphenyl)-6-(hydroxymethyl)-8-oxo-4H-pyrano[3,2-b]pyran-3-carbonitrile Traditional Name: 2-amino-4-(3-bromo-4-methoxy-phenyl)-8-keto-6-methylol-4H-pyrano[3,2-b]pyran-3-carbonitrile Formula: C17H13BrN2O5 MolecularWeight: 405.19952

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2C(=C(OC3=C2OC(=CC3=O)CO)N)C#N)Br

Isomeric SMILES

COC1=C(C=C(C=C1)C2C(=C(OC3=C2OC(=CC3=O)CO)N)C#N)Br

InChI

InChI=1S/C17H13BrN2O5/c1-23-13-3-2-8(4-11(13)18)14-10(6-19)17(20)25-15-12(22)5-9(7-21)24-16(14)15/h2-5,14,21H,7,20H2,1H3