[1-(1,3-benzodioxol-5-ylamino)-1-oxidanylidene-propan-2-yl] 5-chloranyl-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxylate

Systemtic Name: [1-(1,3-benzodioxol-5-ylamino)-1-oxidanylidene-propan-2-yl] 5-chloranyl-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxylate Openeye Name: [2-(1,3-benzodioxol-5-ylamino)-1-methyl-2-oxo-ethyl] 5-chloro-3-methyl-1-(p-tolylmethyl)pyrazole-4-carboxylate CAS Name: 5-chloro-3-methyl-1-[(4-methylphenyl)methyl]-4-pyrazolecarboxylic acid [1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl] 5-chloro-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxylate Traditional Name: 5-chloro-3-methyl-1-(4-methylbenzyl)pyrazole-4-carboxylic acid [2-(1,3-benzodioxol-5-ylamino)-2-keto-1-methyl-ethyl] ester Formula: C23H22ClN3O5 MolecularWeight: 455.89088

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C(=C(C(=N2)C)C(=O)OC(C)C(=O)NC3=CC4=C(C=C3)OCO4)Cl

Isomeric SMILES

CC1=CC=C(C=C1)CN2C(=C(C(=N2)C)C(=O)OC(C)C(=O)NC3=CC4=C(C=C3)OCO4)Cl

InChI

InChI=1S/C23H22ClN3O5/c1-13-4-6-16(7-5-13)11-27-21(24)20(14(2)26-27)23(29)32-15(3)22(28)25-17-8-9-18-19(10-17)31-12-30-18/h4-10,15H,11-12H2,1-3H3,(H,25,28)