ethyl 6-[(7-chloranyl-1,3-benzodioxol-5-yl)carbonyloxymethyl]-4-(furan-2-yl)-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 6-[(7-chloranyl-1,3-benzodioxol-5-yl)carbonyloxymethyl]-4-(furan-2-yl)-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 6-[(7-chloro-1,3-benzodioxole-5-carbonyl)oxymethyl]-4-(2-furyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-[[(7-chloro-1,3-benzodioxol-5-yl)-oxomethoxy]methyl]-4-(2-furanyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-[(7-chloro-1,3-benzodioxole-5-carbonyl)oxymethyl]-4-(furan-2-yl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 6-[(7-chloropiperonyloyl)oxymethyl]-4-(2-furyl)-2-keto-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C20H17ClN2O8 MolecularWeight: 448.81058

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C2=CC=CO2)COC(=O)C3=CC4=C(C(=C3)Cl)OCO4

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)NC1C2=CC=CO2)COC(=O)C3=CC4=C(C(=C3)Cl)OCO4

InChI

InChI=1S/C20H17ClN2O8/c1-2-27-19(25)15-12(22-20(26)23-16(15)13-4-3-5-28-13)8-29-18(24)10-6-11(21)17-14(7-10)30-9-31-17/h3-7,16H,2,8-9H2,1H3,(H2,22,23,26)