1,3-benzodioxol-5-yl 4-[4-(3-methoxy-3-oxidanylidene-propyl)-3,5-dimethyl-pyrazol-1-yl]benzoate

Systemtic Name: 1,3-benzodioxol-5-yl 4-[4-(3-methoxy-3-oxidanylidene-propyl)-3,5-dimethyl-pyrazol-1-yl]benzoate Openeye Name: 1,3-benzodioxol-5-yl 4-[4-(3-methoxy-3-oxo-propyl)-3,5-dimethyl-pyrazol-1-yl]benzoate CAS Name: 4-[4-(3-methoxy-3-oxopropyl)-3,5-dimethyl-1-pyrazolyl]benzoic acid 1,3-benzodioxol-5-yl ester IUPAC Name: 1,3-benzodioxol-5-yl 4-[4-(3-methoxy-3-oxopropyl)-3,5-dimethylpyrazol-1-yl]benzoate Traditional Name: 4-[4-(3-keto-3-methoxy-propyl)-3,5-dimethyl-pyrazol-1-yl]benzoic acid 1,3-benzodioxol-5-yl ester Formula: C23H22N2O6 MolecularWeight: 422.43058

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=C(C=C2)C(=O)OC3=CC4=C(C=C3)OCO4)C)CCC(=O)OC

Isomeric SMILES

CC1=C(C(=NN1C2=CC=C(C=C2)C(=O)OC3=CC4=C(C=C3)OCO4)C)CCC(=O)OC

InChI

InChI=1S/C23H22N2O6/c1-14-19(9-11-22(26)28-3)15(2)25(24-14)17-6-4-16(5-7-17)23(27)31-18-8-10-20-21(12-18)30-13-29-20/h4-8,10,12H,9,11,13H2,1-3H3