2-azanyl-6-(hydroxymethyl)-4-(7-methoxy-1,3-benzodioxol-5-yl)-8-oxidanylidene-4H-pyrano[3,2-b]pyran-3-carbonitrile

Systemtic Name: 2-azanyl-6-(hydroxymethyl)-4-(7-methoxy-1,3-benzodioxol-5-yl)-8-oxidanylidene-4H-pyrano[3,2-b]pyran-3-carbonitrile Openeye Name: 2-amino-6-(hydroxymethyl)-4-(7-methoxy-1,3-benzodioxol-5-yl)-8-oxo-4H-pyrano[3,2-b]pyran-3-carbonitrile CAS Name: 2-amino-6-(hydroxymethyl)-4-(7-methoxy-1,3-benzodioxol-5-yl)-8-oxo-4H-pyrano[3,2-b]pyran-3-carbonitrile IUPAC Name: 2-amino-6-(hydroxymethyl)-4-(7-methoxy-1,3-benzodioxol-5-yl)-8-oxo-4H-pyrano[3,2-b]pyran-3-carbonitrile Traditional Name: 2-amino-8-keto-4-(7-methoxy-1,3-benzodioxol-5-yl)-6-methylol-4H-pyrano[3,2-b]pyran-3-carbonitrile Formula: C18H14N2O7 MolecularWeight: 370.31296

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC2=C1OCO2)C3C(=C(OC4=C3OC(=CC4=O)CO)N)C#N

Isomeric SMILES

COC1=CC(=CC2=C1OCO2)C3C(=C(OC4=C3OC(=CC4=O)CO)N)C#N

InChI

InChI=1S/C18H14N2O7/c1-23-12-2-8(3-13-16(12)25-7-24-13)14-10(5-19)18(20)27-15-11(22)4-9(6-21)26-17(14)15/h2-4,14,21H,6-7,20H2,1H3