2-ethyl-5-[(4-fluoranyl-2-nitro-phenyl)amino]-1,2,3-triazole-4-carbonitrile

Systemtic Name: 2-ethyl-5-[(4-fluoranyl-2-nitro-phenyl)amino]-1,2,3-triazole-4-carbonitrile Openeye Name: 2-ethyl-5-(4-fluoro-2-nitro-anilino)triazole-4-carbonitrile CAS Name: 2-ethyl-5-(4-fluoro-2-nitroanilino)-4-triazolecarbonitrile IUPAC Name: 2-ethyl-5-(4-fluoro-2-nitroanilino)triazole-4-carbonitrile Traditional Name: 2-ethyl-5-(4-fluoro-2-nitro-anilino)triazole-4-carbonitrile Formula: C11H9FN6O2 MolecularWeight: 276.226563

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Descriptors Computed from Structure

Canonical SMILES:

CCN1N=C(C(=N1)NC2=C(C=C(C=C2)F)[N+](=O)[O-])C#N

Isomeric SMILES

CCN1N=C(C(=N1)NC2=C(C=C(C=C2)F)[N+](=O)[O-])C#N

InChI

InChI=1S/C11H9FN6O2/c1-2-17-15-9(6-13)11(16-17)14-8-4-3-7(12)5-10(8)18(19)20/h3-5H,2H2,1H3,(H,14,16)