methyl 1-(2-cyanoethyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazole-4-carboxylate

Systemtic Name: methyl 1-(2-cyanoethyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazole-4-carboxylate Openeye Name: methyl 1-(2-cyanoethyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazole-4-carboxylate CAS Name: 1-(2-cyanoethyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 1-(2-cyanoethyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazole-4-carboxylate Traditional Name: 1-(2-cyanoethyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazole-4-carboxylic acid methyl ester Formula: C16H15N3O4 MolecularWeight: 313.308

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN(N=C1C2=CC3=C(C=C2)OCCO3)CCC#N

Isomeric SMILES

COC(=O)C1=CN(N=C1C2=CC3=C(C=C2)OCCO3)CCC#N

InChI

InChI=1S/C16H15N3O4/c1-21-16(20)12-10-19(6-2-5-17)18-15(12)11-3-4-13-14(9-11)23-8-7-22-13/h3-4,9-10H,2,6-8H2,1H3