[(E)-(2-chloranyl-6-fluoranyl-phenyl)methylideneamino] 2,5-dimethyl-4-nitro-pyrazole-3-carboxylate

Systemtic Name: [(E)-(2-chloranyl-6-fluoranyl-phenyl)methylideneamino] 2,5-dimethyl-4-nitro-pyrazole-3-carboxylate Openeye Name: [(E)-(2-chloro-6-fluoro-phenyl)methyleneamino] 2,5-dimethyl-4-nitro-pyrazole-3-carboxylate CAS Name: 2,5-dimethyl-4-nitro-3-pyrazolecarboxylic acid [(E)-(2-chloro-6-fluorophenyl)methylideneamino] ester IUPAC Name: [(E)-(2-chloro-6-fluorophenyl)methylideneamino] 2,5-dimethyl-4-nitropyrazole-3-carboxylate Traditional Name: 2,5-dimethyl-4-nitro-pyrazole-3-carboxylic acid [(E)-(2-chloro-6-fluoro-benzylidene)amino] ester Formula: C13H10ClFN4O4 MolecularWeight: 340.694303

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1[N+](=O)[O-])C(=O)ON=CC2=C(C=CC=C2Cl)F)C

Isomeric SMILES

CC1=NN(C(=C1[N+](=O)[O-])C(=O)O/N=C/C2=C(C=CC=C2Cl)F)C

InChI

InChI=1S/C13H10ClFN4O4/c1-7-11(19(21)22)12(18(2)17-7)13(20)23-16-6-8-9(14)4-3-5-10(8)15/h3-6H,1-2H3/b16-6+