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

Systemtic Name: (5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methyl (3R)-2,3-dihydro-1,4-benzodioxine-3-carboxylate Openeye Name: (5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methyl (3R)-2,3-dihydro-1,4-benzodioxine-3-carboxylate CAS Name: (3R)-2,3-dihydro-1,4-benzodioxin-3-carboxylic acid (5-chloro-3-methyl-1-phenyl-4-pyrazolyl)methyl ester IUPAC Name: (5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl (3R)-2,3-dihydro-1,4-benzodioxine-3-carboxylate Traditional Name: (3R)-2,3-dihydro-1,4-benzodioxin-3-carboxylic acid (5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methyl ester Formula: C20H17ClN2O4 MolecularWeight: 384.81298

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1COC(=O)C2COC3=CC=CC=C3O2)Cl)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1COC(=O)[C@H]2COC3=CC=CC=C3O2)Cl)C4=CC=CC=C4

InChI

InChI=1S/C20H17ClN2O4/c1-13-15(19(21)23(22-13)14-7-3-2-4-8-14)11-26-20(24)18-12-25-16-9-5-6-10-17(16)27-18/h2-10,18H,11-12H2,1H3/t18-/m1/s1