methyl 2-(1,3-benzodioxol-5-ylmethyl)-4,6-bis(chloranyl)pyrimidine-5-carboxylate

Systemtic Name: methyl 2-(1,3-benzodioxol-5-ylmethyl)-4,6-bis(chloranyl)pyrimidine-5-carboxylate Openeye Name: methyl 2-(1,3-benzodioxol-5-ylmethyl)-4,6-dichloro-pyrimidine-5-carboxylate CAS Name: 2-(1,3-benzodioxol-5-ylmethyl)-4,6-dichloro-5-pyrimidinecarboxylic acid methyl ester IUPAC Name: methyl 2-(1,3-benzodioxol-5-ylmethyl)-4,6-dichloropyrimidine-5-carboxylate Traditional Name: 4,6-dichloro-2-piperonyl-pyrimidine-5-carboxylic acid methyl ester Formula: C14H10Cl2N2O4 MolecularWeight: 341.1462

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(N=C(N=C1Cl)CC2=CC3=C(C=C2)OCO3)Cl

Isomeric SMILES

COC(=O)C1=C(N=C(N=C1Cl)CC2=CC3=C(C=C2)OCO3)Cl

InChI

InChI=1S/C14H10Cl2N2O4/c1-20-14(19)11-12(15)17-10(18-13(11)16)5-7-2-3-8-9(4-7)22-6-21-8/h2-4H,5-6H2,1H3