(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methyl 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxidanylidene-butanoate

Systemtic Name: (5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methyl 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxidanylidene-butanoate Openeye Name: (5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methyl 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-butanoate CAS Name: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxobutanoic acid (5-chloro-3-methyl-1-phenyl-4-pyrazolyl)methyl ester IUPAC Name: (5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxobutanoate Traditional Name: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-keto-butyric acid (5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methyl ester Formula: C23H21ClN2O5 MolecularWeight: 440.87624

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1COC(=O)CCC(=O)C2=CC3=C(C=C2)OCCO3)Cl)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1COC(=O)CCC(=O)C2=CC3=C(C=C2)OCCO3)Cl)C4=CC=CC=C4

InChI

InChI=1S/C23H21ClN2O5/c1-15-18(23(24)26(25-15)17-5-3-2-4-6-17)14-31-22(28)10-8-19(27)16-7-9-20-21(13-16)30-12-11-29-20/h2-7,9,13H,8,10-12,14H2,1H3