[2-(1H-benzimidazol-2-yl)-5-methyl-pyrazol-3-yl] (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate

Systemtic Name: [2-(1H-benzimidazol-2-yl)-5-methyl-pyrazol-3-yl] (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate Openeye Name: [2-(1H-benzimidazol-2-yl)-5-methyl-pyrazol-3-yl] (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate CAS Name: (E)-3-(1,3-benzodioxol-5-yl)-2-propenoic acid [2-(1H-benzimidazol-2-yl)-5-methyl-3-pyrazolyl] ester IUPAC Name: [2-(1H-benzimidazol-2-yl)-5-methylpyrazol-3-yl] (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate Traditional Name: (E)-3-(1,3-benzodioxol-5-yl)acrylic acid [2-(1H-benzimidazol-2-yl)-5-methyl-pyrazol-3-yl] ester Formula: C21H16N4O4 MolecularWeight: 388.37614

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)OC(=O)C=CC2=CC3=C(C=C2)OCO3)C4=NC5=CC=CC=C5N4

Isomeric SMILES

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

InChI

InChI=1S/C21H16N4O4/c1-13-10-19(25(24-13)21-22-15-4-2-3-5-16(15)23-21)29-20(26)9-7-14-6-8-17-18(11-14)28-12-27-17/h2-11H,12H2,1H3,(H,22,23)/b9-7+