[(3S)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 5-chloranyl-1-(4-fluorophenyl)-3-methyl-pyrazole-4-carboxylate

Systemtic Name: [(3S)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 5-chloranyl-1-(4-fluorophenyl)-3-methyl-pyrazole-4-carboxylate Openeye Name: [(3S)-3-cyano-4-imino-2-oxo-pentyl] 5-chloro-1-(4-fluorophenyl)-3-methyl-pyrazole-4-carboxylate CAS Name: 5-chloro-1-(4-fluorophenyl)-3-methyl-4-pyrazolecarboxylic acid [(3S)-3-cyano-4-imino-2-oxopentyl] ester IUPAC Name: [(3S)-3-cyano-4-imino-2-oxopentyl] 5-chloro-1-(4-fluorophenyl)-3-methylpyrazole-4-carboxylate Traditional Name: 5-chloro-1-(4-fluorophenyl)-3-methyl-pyrazole-4-carboxylic acid [(3S)-3-cyano-4-imino-2-keto-pentyl] ester Formula: C17H14ClFN4O3 MolecularWeight: 376.769463

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14ClFN4O3/c1-9(21)13(7-20)14(24)8-26-17(25)15-10(2)22-23(16(15)18)12-5-3-11(19)4-6-12/h3-6,13,21H,8H2,1-2H3/t13-/m1/s1