(4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl 2,3-dihydro-1,4-benzodioxine-3-carboxylate

Systemtic Name: (4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl 2,3-dihydro-1,4-benzodioxine-3-carboxylate Openeye Name: (4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl 2,3-dihydro-1,4-benzodioxine-3-carboxylate CAS Name: 2,3-dihydro-1,4-benzodioxin-3-carboxylic acid (4-cyano-5-methyl-2-phenyl-3-pyrazolyl)methyl ester IUPAC Name: (4-cyano-5-methyl-2-phenylpyrazol-3-yl)methyl 2,3-dihydro-1,4-benzodioxine-3-carboxylate Traditional Name: 2,3-dihydro-1,4-benzodioxin-3-carboxylic acid (4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl ester Formula: C21H17N3O4 MolecularWeight: 375.37738

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C#N)COC(=O)C2COC3=CC=CC=C3O2)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1C#N)COC(=O)C2COC3=CC=CC=C3O2)C4=CC=CC=C4

InChI

InChI=1S/C21H17N3O4/c1-14-16(11-22)17(24(23-14)15-7-3-2-4-8-15)12-27-21(25)20-13-26-18-9-5-6-10-19(18)28-20/h2-10,20H,12-13H2,1H3