[(2R)-1-[(2-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 5-chloranyl-3-methyl-1-(2-methylpropyl)pyrazole-4-carboxylate

Systemtic Name: [(2R)-1-[(2-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 5-chloranyl-3-methyl-1-(2-methylpropyl)pyrazole-4-carboxylate Openeye Name: [(1R)-1-methyl-2-(2-nitroanilino)-2-oxo-ethyl] 5-chloro-1-isobutyl-3-methyl-pyrazole-4-carboxylate CAS Name: 5-chloro-3-methyl-1-(2-methylpropyl)-4-pyrazolecarboxylic acid [(2R)-1-(2-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(2-nitroanilino)-1-oxopropan-2-yl] 5-chloro-3-methyl-1-(2-methylpropyl)pyrazole-4-carboxylate Traditional Name: 5-chloro-1-isobutyl-3-methyl-pyrazole-4-carboxylic acid [(1R)-2-keto-1-methyl-2-(2-nitroanilino)ethyl] ester Formula: C18H21ClN4O5 MolecularWeight: 408.83614

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)OC(C)C(=O)NC2=CC=CC=C2[N+](=O)[O-])Cl)CC(C)C

Isomeric SMILES

CC1=NN(C(=C1C(=O)O[C@H](C)C(=O)NC2=CC=CC=C2[N+](=O)[O-])Cl)CC(C)C

InChI

InChI=1S/C18H21ClN4O5/c1-10(2)9-22-16(19)15(11(3)21-22)18(25)28-12(4)17(24)20-13-7-5-6-8-14(13)23(26)27/h5-8,10,12H,9H2,1-4H3,(H,20,24)/t12-/m1/s1