methyl 2-[2-(1,3-benzodioxol-5-ylmethyl)-4-oxidanyl-6-oxidanylidene-1H-pyrimidin-5-yl]ethanoate

Systemtic Name: methyl 2-[2-(1,3-benzodioxol-5-ylmethyl)-4-oxidanyl-6-oxidanylidene-1H-pyrimidin-5-yl]ethanoate Openeye Name: methyl 2-[2-(1,3-benzodioxol-5-ylmethyl)-4-hydroxy-6-oxo-1H-pyrimidin-5-yl]acetate CAS Name: 2-[2-(1,3-benzodioxol-5-ylmethyl)-4-hydroxy-6-oxo-1H-pyrimidin-5-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-(1,3-benzodioxol-5-ylmethyl)-4-hydroxy-6-oxo-1H-pyrimidin-5-yl]acetate Traditional Name: 2-(4-hydroxy-6-keto-2-piperonyl-1H-pyrimidin-5-yl)acetic acid methyl ester Formula: C15H14N2O6 MolecularWeight: 318.28146

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=C(N=C(NC1=O)CC2=CC3=C(C=C2)OCO3)O

Isomeric SMILES

COC(=O)CC1=C(N=C(NC1=O)CC2=CC3=C(C=C2)OCO3)O

InChI

InChI=1S/C15H14N2O6/c1-21-13(18)6-9-14(19)16-12(17-15(9)20)5-8-2-3-10-11(4-8)23-7-22-10/h2-4H,5-7H2,1H3,(H2,16,17,19,20)