ethanenitrile; 5-fluoranyl-2,4-dinitro-aniline

Systemtic Name: ethanenitrile; 5-fluoranyl-2,4-dinitro-aniline Openeye Name: acetonitrile; 5-fluoro-2,4-dinitro-aniline CAS Name: acetonitrile; 5-fluoro-2,4-dinitroaniline IUPAC Name: acetonitrile; 5-fluoro-2,4-dinitroaniline Traditional Name: acetonitrile; (5-fluoro-2,4-dinitro-phenyl)amine Formula: C8H7FN4O4 MolecularWeight: 242.163983

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Descriptors Computed from Structure

Canonical SMILES:

CC#N.C1=C(C(=CC(=C1F)[N+](=O)[O-])[N+](=O)[O-])N

Isomeric SMILES

CC#N.C1=C(C(=CC(=C1F)[N+](=O)[O-])[N+](=O)[O-])N

InChI

InChI=1S/C6H4FN3O4.C2H3N/c7-3-1-4(8)6(10(13)14)2-5(3)9(11)12;1-2-3/h1-2H,8H2;1H3