[2-(1H-benzimidazol-2-yl)-5-methyl-pyrazol-3-yl] 1,3-benzodioxole-5-carboxylate

Systemtic Name: [2-(1H-benzimidazol-2-yl)-5-methyl-pyrazol-3-yl] 1,3-benzodioxole-5-carboxylate Openeye Name: [2-(1H-benzimidazol-2-yl)-5-methyl-pyrazol-3-yl] 1,3-benzodioxole-5-carboxylate CAS Name: 1,3-benzodioxole-5-carboxylic acid [2-(1H-benzimidazol-2-yl)-5-methyl-3-pyrazolyl] ester IUPAC Name: [2-(1H-benzimidazol-2-yl)-5-methylpyrazol-3-yl] 1,3-benzodioxole-5-carboxylate Traditional Name: piperonylic acid [2-(1H-benzimidazol-2-yl)-5-methyl-pyrazol-3-yl] ester Formula: C19H14N4O4 MolecularWeight: 362.33886

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)OC(=O)C2=CC3=C(C=C2)OCO3)C4=NC5=CC=CC=C5N4

Isomeric SMILES

CC1=NN(C(=C1)OC(=O)C2=CC3=C(C=C2)OCO3)C4=NC5=CC=CC=C5N4

InChI

InChI=1S/C19H14N4O4/c1-11-8-17(23(22-11)19-20-13-4-2-3-5-14(13)21-19)27-18(24)12-6-7-15-16(9-12)26-10-25-15/h2-9H,10H2,1H3,(H,20,21)