[2-[6-azanyl-1-methyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-2-oxidanylidene-ethyl] 1,3-benzodioxole-5-carboxylate

Systemtic Name: [2-[6-azanyl-1-methyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-2-oxidanylidene-ethyl] 1,3-benzodioxole-5-carboxylate Openeye Name: [2-(6-amino-1-methyl-2,4-dioxo-pyrimidin-5-yl)-2-oxo-ethyl] 1,3-benzodioxole-5-carboxylate CAS Name: 1,3-benzodioxole-5-carboxylic acid [2-(6-amino-1-methyl-2,4-dioxo-5-pyrimidinyl)-2-oxoethyl] ester IUPAC Name: [2-(6-amino-1-methyl-2,4-dioxopyrimidin-5-yl)-2-oxoethyl] 1,3-benzodioxole-5-carboxylate Traditional Name: piperonylic acid [2-(6-amino-2,4-diketo-1-methyl-pyrimidin-5-yl)-2-keto-ethyl] ester Formula: C15H13N3O7 MolecularWeight: 347.27962

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=O)NC1=O)C(=O)COC(=O)C2=CC3=C(C=C2)OCO3)N

Isomeric SMILES

CN1C(=C(C(=O)NC1=O)C(=O)COC(=O)C2=CC3=C(C=C2)OCO3)N

InChI

InChI=1S/C15H13N3O7/c1-18-12(16)11(13(20)17-15(18)22)8(19)5-23-14(21)7-2-3-9-10(4-7)25-6-24-9/h2-4H,5-6,16H2,1H3,(H,17,20,22)