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

Systemtic Name: [2-(aminocarbonylamino)-2-oxidanylidene-ethyl] 5-chloranyl-3-methyl-1-phenyl-pyrazole-4-carboxylate Openeye Name: (2-oxo-2-ureido-ethyl) 5-chloro-3-methyl-1-phenyl-pyrazole-4-carboxylate CAS Name: 5-chloro-3-methyl-1-phenyl-4-pyrazolecarboxylic acid [2-(carbamoylamino)-2-oxoethyl] ester IUPAC Name: [2-(carbamoylamino)-2-oxoethyl] 5-chloro-3-methyl-1-phenylpyrazole-4-carboxylate Traditional Name: 5-chloro-3-methyl-1-phenyl-pyrazole-4-carboxylic acid (2-keto-2-ureido-ethyl) ester Formula: C14H13ClN4O4 MolecularWeight: 336.73042

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)OCC(=O)NC(=O)N)Cl)C2=CC=CC=C2

Isomeric SMILES

CC1=NN(C(=C1C(=O)OCC(=O)NC(=O)N)Cl)C2=CC=CC=C2

InChI

InChI=1S/C14H13ClN4O4/c1-8-11(13(21)23-7-10(20)17-14(16)22)12(15)19(18-8)9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H3,16,17,20,22)