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

Systemtic Name: [2-oxidanylidene-2-(phenylcarbamoylamino)ethyl] 1-butyl-5-chloranyl-3-methyl-pyrazole-4-carboxylate Openeye Name: [2-oxo-2-(phenylcarbamoylamino)ethyl] 1-butyl-5-chloro-3-methyl-pyrazole-4-carboxylate CAS Name: 1-butyl-5-chloro-3-methyl-4-pyrazolecarboxylic acid [2-[[anilino(oxo)methyl]amino]-2-oxoethyl] ester IUPAC Name: [2-oxo-2-(phenylcarbamoylamino)ethyl] 1-butyl-5-chloro-3-methylpyrazole-4-carboxylate Traditional Name: 1-butyl-5-chloro-3-methyl-pyrazole-4-carboxylic acid [2-keto-2-(phenylcarbamoylamino)ethyl] ester Formula: C18H21ClN4O4 MolecularWeight: 392.83674

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=N1)C)C(=O)OCC(=O)NC(=O)NC2=CC=CC=C2)Cl

Isomeric SMILES

CCCCN1C(=C(C(=N1)C)C(=O)OCC(=O)NC(=O)NC2=CC=CC=C2)Cl

InChI

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