[(3R)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 5-chloranyl-1-[(2,4-dichlorophenyl)methyl]-3-methyl-pyrazole-4-carboxylate

Systemtic Name: [(3R)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 5-chloranyl-1-[(2,4-dichlorophenyl)methyl]-3-methyl-pyrazole-4-carboxylate Openeye Name: [(3R)-3-cyano-4-imino-2-oxo-pentyl] 5-chloro-1-[(2,4-dichlorophenyl)methyl]-3-methyl-pyrazole-4-carboxylate CAS Name: 5-chloro-1-[(2,4-dichlorophenyl)methyl]-3-methyl-4-pyrazolecarboxylic acid [(3R)-3-cyano-4-imino-2-oxopentyl] ester IUPAC Name: [(3R)-3-cyano-4-imino-2-oxopentyl] 5-chloro-1-[(2,4-dichlorophenyl)methyl]-3-methylpyrazole-4-carboxylate Traditional Name: 5-chloro-1-(2,4-dichlorobenzyl)-3-methyl-pyrazole-4-carboxylic acid [(3R)-3-cyano-4-imino-2-keto-pentyl] ester Formula: C18H15Cl3N4O3 MolecularWeight: 441.6957

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)OCC(=O)C(C#N)C(=N)C)Cl)CC2=C(C=C(C=C2)Cl)Cl

Isomeric SMILES

CC1=NN(C(=C1C(=O)OCC(=O)[C@@H](C#N)C(=N)C)Cl)CC2=C(C=C(C=C2)Cl)Cl

InChI

InChI=1S/C18H15Cl3N4O3/c1-9(23)13(6-22)15(26)8-28-18(27)16-10(2)24-25(17(16)21)7-11-3-4-12(19)5-14(11)20/h3-5,13,23H,7-8H2,1-2H3/t13-/m0/s1