[2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxidanylidene-ethyl] 5-chloranyl-3-methyl-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: [2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxidanylidene-ethyl] 5-chloranyl-3-methyl-1-phenyl-pyrazole-4-carboxylate Openeye Name: [2-[[(1R)-1-methylpropyl]carbamoylamino]-2-oxo-ethyl] 5-chloro-3-methyl-1-phenyl-pyrazole-4-carboxylate CAS Name: 5-chloro-3-methyl-1-phenyl-4-pyrazolecarboxylic acid [2-[[[[(2R)-butan-2-yl]amino]-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(2R)-butan-2-yl]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-[[(1R)-1-methylpropyl]carbamoylamino]ethyl] ester Formula: C18H21ClN4O4 MolecularWeight: 392.83674

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC[C@@H](C)NC(=O)NC(=O)COC(=O)C1=C(N(N=C1C)C2=CC=CC=C2)Cl

InChI

InChI=1S/C18H21ClN4O4/c1-4-11(2)20-18(26)21-14(24)10-27-17(25)15-12(3)22-23(16(15)19)13-8-6-5-7-9-13/h5-9,11H,4,10H2,1-3H3,(H2,20,21,24,26)/t11-/m1/s1