methyl 4-[2-azanyl-3-cyano-6-(hydroxymethyl)-8-oxidanylidene-4H-pyrano[3,2-b]pyran-4-yl]benzoate

Systemtic Name: methyl 4-[2-azanyl-3-cyano-6-(hydroxymethyl)-8-oxidanylidene-4H-pyrano[3,2-b]pyran-4-yl]benzoate Openeye Name: methyl 4-[2-amino-3-cyano-6-(hydroxymethyl)-8-oxo-4H-pyrano[3,2-b]pyran-4-yl]benzoate CAS Name: 4-[2-amino-3-cyano-6-(hydroxymethyl)-8-oxo-4H-pyrano[3,2-b]pyran-4-yl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-amino-3-cyano-6-(hydroxymethyl)-8-oxo-4H-pyrano[3,2-b]pyran-4-yl]benzoate Traditional Name: 4-(2-amino-3-cyano-8-keto-6-methylol-4H-pyrano[3,2-b]pyran-4-yl)benzoic acid methyl ester Formula: C18H14N2O6 MolecularWeight: 354.31356

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C2C(=C(OC3=C2OC(=CC3=O)CO)N)C#N

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C2C(=C(OC3=C2OC(=CC3=O)CO)N)C#N

InChI

InChI=1S/C18H14N2O6/c1-24-18(23)10-4-2-9(3-5-10)14-12(7-19)17(20)26-15-13(22)6-11(8-21)25-16(14)15/h2-6,14,21H,8,20H2,1H3