N-[(E)-(3-bromanyl-4-fluoranyl-phenyl)methylideneamino]-2-(4-nitropyrazol-1-yl)ethanamide

Systemtic Name: N-[(E)-(3-bromanyl-4-fluoranyl-phenyl)methylideneamino]-2-(4-nitropyrazol-1-yl)ethanamide Openeye Name: N-[(E)-(3-bromo-4-fluoro-phenyl)methyleneamino]-2-(4-nitropyrazol-1-yl)acetamide CAS Name: N-[(E)-(3-bromo-4-fluorophenyl)methylideneamino]-2-(4-nitro-1-pyrazolyl)acetamide IUPAC Name: N-[(E)-(3-bromo-4-fluorophenyl)methylideneamino]-2-(4-nitropyrazol-1-yl)acetamide Traditional Name: N-[(E)-(3-bromo-4-fluoro-benzylidene)amino]-2-(4-nitropyrazol-1-yl)acetamide Formula: C12H9BrFN5O3 MolecularWeight: 370.133963

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C=NNC(=O)CN2C=C(C=N2)[N+](=O)[O-])Br)F

Isomeric SMILES

C1=CC(=C(C=C1/C=N/NC(=O)CN2C=C(C=N2)[N+](=O)[O-])Br)F

InChI

InChI=1S/C12H9BrFN5O3/c13-10-3-8(1-2-11(10)14)4-15-17-12(20)7-18-6-9(5-16-18)19(21)22/h1-6H,7H2,(H,17,20)/b15-4+