3-(3-azido-3-oxidanylidene-propyl)-6-(dimethylamino)-2-fluoranyl-benzenecarbonitrile

Systemtic Name: 3-(3-azido-3-oxidanylidene-propyl)-6-(dimethylamino)-2-fluoranyl-benzenecarbonitrile Openeye Name: 3-[3-cyano-4-(dimethylamino)-2-fluoro-phenyl]propanoyl azide CAS Name: 3-(3-azido-3-oxopropyl)-6-(dimethylamino)-2-fluorobenzonitrile IUPAC Name: 3-[3-cyano-4-(dimethylamino)-2-fluorophenyl]propanoyl azide Traditional Name: 3-(3-azido-3-keto-propyl)-6-(dimethylamino)-2-fluoro-benzonitrile Formula: C12H12FN5O MolecularWeight: 261.254983

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(C(=C(C=C1)CCC(=O)N=[N+]=[N-])F)C#N

Isomeric SMILES

CN(C)C1=C(C(=C(C=C1)CCC(=O)N=[N+]=[N-])F)C#N

InChI

InChI=1S/C12H12FN5O/c1-18(2)10-5-3-8(12(13)9(10)7-14)4-6-11(19)16-17-15/h3,5H,4,6H2,1-2H3