[2-(ethylcarbamoylamino)-2-oxidanylidene-ethyl] 5-chloranyl-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxylate

Systemtic Name: [2-(ethylcarbamoylamino)-2-oxidanylidene-ethyl] 5-chloranyl-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxylate Openeye Name: [2-(ethylcarbamoylamino)-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 [2-(ethylcarbamoylamino)-2-oxoethyl] ester IUPAC Name: [2-(ethylcarbamoylamino)-2-oxoethyl] 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-(ethylcarbamoylamino)-2-keto-ethyl] ester Formula: C18H21ClN4O4 MolecularWeight: 392.83674

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)NC(=O)COC(=O)C1=C(N(N=C1C)CC2=CC=C(C=C2)C)Cl

Isomeric SMILES

CCNC(=O)NC(=O)COC(=O)C1=C(N(N=C1C)CC2=CC=C(C=C2)C)Cl

InChI

InChI=1S/C18H21ClN4O4/c1-4-20-18(26)21-14(24)10-27-17(25)15-12(3)22-23(16(15)19)9-13-7-5-11(2)6-8-13/h5-8H,4,9-10H2,1-3H3,(H2,20,21,24,26)