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

Systemtic Name: propan-2-yl 1-(2-cyanoethyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazole-4-carboxylate Openeye Name: isopropyl 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 propan-2-yl ester IUPAC Name: propan-2-yl 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 isopropyl ester Formula: C18H19N3O4 MolecularWeight: 341.36116

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N3O4/c1-12(2)25-18(22)14-11-21(7-3-6-19)20-17(14)13-4-5-15-16(10-13)24-9-8-23-15/h4-5,10-12H,3,7-9H2,1-2H3