methyl 2-[2-(1,3-benzodioxol-5-ylmethyl)-4-chloranyl-pyrimidin-5-yl]ethanoate

Systemtic Name: methyl 2-[2-(1,3-benzodioxol-5-ylmethyl)-4-chloranyl-pyrimidin-5-yl]ethanoate Openeye Name: methyl 2-[2-(1,3-benzodioxol-5-ylmethyl)-4-chloro-pyrimidin-5-yl]acetate CAS Name: 2-[2-(1,3-benzodioxol-5-ylmethyl)-4-chloro-5-pyrimidinyl]acetic acid methyl ester IUPAC Name: methyl 2-[2-(1,3-benzodioxol-5-ylmethyl)-4-chloropyrimidin-5-yl]acetate Traditional Name: 2-(4-chloro-2-piperonyl-pyrimidin-5-yl)acetic acid methyl ester Formula: C15H13ClN2O4 MolecularWeight: 320.72772

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=CN=C(N=C1Cl)CC2=CC3=C(C=C2)OCO3

Isomeric SMILES

COC(=O)CC1=CN=C(N=C1Cl)CC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C15H13ClN2O4/c1-20-14(19)6-10-7-17-13(18-15(10)16)5-9-2-3-11-12(4-9)22-8-21-11/h2-4,7H,5-6,8H2,1H3