(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methyl 3-(1,3-benzodioxol-5-yl)propanoate

Systemtic Name: (5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methyl 3-(1,3-benzodioxol-5-yl)propanoate Openeye Name: (5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methyl 3-(1,3-benzodioxol-5-yl)propanoate CAS Name: 3-(1,3-benzodioxol-5-yl)propanoic acid (5-chloro-3-methyl-1-phenyl-4-pyrazolyl)methyl ester IUPAC Name: (5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl 3-(1,3-benzodioxol-5-yl)propanoate Traditional Name: 3-(1,3-benzodioxol-5-yl)propionic acid (5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methyl ester Formula: C21H19ClN2O4 MolecularWeight: 398.83956

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1COC(=O)CCC2=CC3=C(C=C2)OCO3)Cl)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1COC(=O)CCC2=CC3=C(C=C2)OCO3)Cl)C4=CC=CC=C4

InChI

InChI=1S/C21H19ClN2O4/c1-14-17(21(22)24(23-14)16-5-3-2-4-6-16)12-26-20(25)10-8-15-7-9-18-19(11-15)28-13-27-18/h2-7,9,11H,8,10,12-13H2,1H3