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

Systemtic Name: methyl 2-(1,3-benzodioxol-5-ylmethyl)-4-chloranyl-pyrimidine-5-carboxylate Openeye Name: methyl 2-(1,3-benzodioxol-5-ylmethyl)-4-chloro-pyrimidine-5-carboxylate CAS Name: 2-(1,3-benzodioxol-5-ylmethyl)-4-chloro-5-pyrimidinecarboxylic acid methyl ester IUPAC Name: methyl 2-(1,3-benzodioxol-5-ylmethyl)-4-chloropyrimidine-5-carboxylate Traditional Name: 4-chloro-2-piperonyl-pyrimidine-5-carboxylic acid methyl ester Formula: C14H11ClN2O4 MolecularWeight: 306.70114

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H11ClN2O4/c1-19-14(18)9-6-16-12(17-13(9)15)5-8-2-3-10-11(4-8)21-7-20-10/h2-4,6H,5,7H2,1H3