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

Systemtic Name: [2-(cyclopropylcarbamoylamino)-2-oxidanylidene-ethyl] 5-chloranyl-3-methyl-1-(phenylmethyl)pyrazole-4-carboxylate Openeye Name: [2-(cyclopropylcarbamoylamino)-2-oxo-ethyl] 1-benzyl-5-chloro-3-methyl-pyrazole-4-carboxylate CAS Name: 5-chloro-3-methyl-1-(phenylmethyl)-4-pyrazolecarboxylic acid [2-[[(cyclopropylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(cyclopropylcarbamoylamino)-2-oxoethyl] 1-benzyl-5-chloro-3-methylpyrazole-4-carboxylate Traditional Name: 1-benzyl-5-chloro-3-methyl-pyrazole-4-carboxylic acid [2-(cyclopropylcarbamoylamino)-2-keto-ethyl] ester Formula: C18H19ClN4O4 MolecularWeight: 390.82086

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)OCC(=O)NC(=O)NC2CC2)Cl)CC3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1C(=O)OCC(=O)NC(=O)NC2CC2)Cl)CC3=CC=CC=C3

InChI

InChI=1S/C18H19ClN4O4/c1-11-15(16(19)23(22-11)9-12-5-3-2-4-6-12)17(25)27-10-14(24)21-18(26)20-13-7-8-13/h2-6,13H,7-10H2,1H3,(H2,20,21,24,26)