[(2R)-1-(methoxycarbonylamino)-1-oxidanylidene-propan-2-yl] 5-chloranyl-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxylate

Systemtic Name: [(2R)-1-(methoxycarbonylamino)-1-oxidanylidene-propan-2-yl] 5-chloranyl-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxylate Openeye Name: [(1R)-2-(methoxycarbonylamino)-1-methyl-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 [(2R)-1-(methoxycarbonylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(methoxycarbonylamino)-1-oxopropan-2-yl] 5-chloro-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxylate Traditional Name: 5-chloro-3-methyl-1-(4-methylbenzyl)pyrazole-4-carboxylic acid [(1R)-2-(carbomethoxyamino)-2-keto-1-methyl-ethyl] ester Formula: C18H20ClN3O5 MolecularWeight: 393.8215

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C(=C(C(=N2)C)C(=O)OC(C)C(=O)NC(=O)OC)Cl

Isomeric SMILES

CC1=CC=C(C=C1)CN2C(=C(C(=N2)C)C(=O)O[C@H](C)C(=O)NC(=O)OC)Cl

InChI

InChI=1S/C18H20ClN3O5/c1-10-5-7-13(8-6-10)9-22-15(19)14(11(2)21-22)17(24)27-12(3)16(23)20-18(25)26-4/h5-8,12H,9H2,1-4H3,(H,20,23,25)/t12-/m1/s1