N-[(E)-(2-chloranyl-6-fluoranyl-phenyl)methylideneamino]-1-methyl-4-nitro-pyrazole-3-carboxamide

Systemtic Name: N-[(E)-(2-chloranyl-6-fluoranyl-phenyl)methylideneamino]-1-methyl-4-nitro-pyrazole-3-carboxamide Openeye Name: N-[(E)-(2-chloro-6-fluoro-phenyl)methyleneamino]-1-methyl-4-nitro-pyrazole-3-carboxamide CAS Name: N-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]-1-methyl-4-nitro-3-pyrazolecarboxamide IUPAC Name: N-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]-1-methyl-4-nitropyrazole-3-carboxamide Traditional Name: N-[(E)-(2-chloro-6-fluoro-benzylidene)amino]-1-methyl-4-nitro-pyrazole-3-carboxamide Formula: C12H9ClFN5O3 MolecularWeight: 325.682963

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C(=O)NN=CC2=C(C=CC=C2Cl)F)[N+](=O)[O-]

Isomeric SMILES

CN1C=C(C(=N1)C(=O)N/N=C/C2=C(C=CC=C2Cl)F)[N+](=O)[O-]

InChI

InChI=1S/C12H9ClFN5O3/c1-18-6-10(19(21)22)11(17-18)12(20)16-15-5-7-8(13)3-2-4-9(7)14/h2-6H,1H3,(H,16,20)/b15-5+