[(E)-(2-chloranyl-6-fluoranyl-phenyl)methylideneamino] 1-methyl-5-pyrrol-1-yl-pyrazole-4-carboxylate

Systemtic Name: [(E)-(2-chloranyl-6-fluoranyl-phenyl)methylideneamino] 1-methyl-5-pyrrol-1-yl-pyrazole-4-carboxylate Openeye Name: [(E)-(2-chloro-6-fluoro-phenyl)methyleneamino] 1-methyl-5-pyrrol-1-yl-pyrazole-4-carboxylate CAS Name: 1-methyl-5-(1-pyrrolyl)-4-pyrazolecarboxylic acid [(E)-(2-chloro-6-fluorophenyl)methylideneamino] ester IUPAC Name: [(E)-(2-chloro-6-fluorophenyl)methylideneamino] 1-methyl-5-pyrrol-1-ylpyrazole-4-carboxylate Traditional Name: 1-methyl-5-pyrrol-1-yl-pyrazole-4-carboxylic acid [(E)-(2-chloro-6-fluoro-benzylidene)amino] ester Formula: C16H12ClFN4O2 MolecularWeight: 346.743483

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C=N1)C(=O)ON=CC2=C(C=CC=C2Cl)F)N3C=CC=C3

Isomeric SMILES

CN1C(=C(C=N1)C(=O)O/N=C/C2=C(C=CC=C2Cl)F)N3C=CC=C3

InChI

InChI=1S/C16H12ClFN4O2/c1-21-15(22-7-2-3-8-22)12(9-19-21)16(23)24-20-10-11-13(17)5-4-6-14(11)18/h2-10H,1H3/b20-10+