4-azanyl-3-nitro-benzenecarbonitrile; 2-nitro-4-(trifluoromethyl)aniline

Systemtic Name: 4-azanyl-3-nitro-benzenecarbonitrile; 2-nitro-4-(trifluoromethyl)aniline Openeye Name: 4-amino-3-nitro-benzonitrile; 2-nitro-4-(trifluoromethyl)aniline CAS Name: 4-amino-3-nitrobenzonitrile; 2-nitro-4-(trifluoromethyl)aniline IUPAC Name: 4-amino-3-nitrobenzonitrile; 2-nitro-4-(trifluoromethyl)aniline Traditional Name: 4-amino-3-nitro-benzonitrile; [2-nitro-4-(trifluoromethyl)phenyl]amine Formula: C14H10F3N5O4 MolecularWeight: 369.25551

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C#N)[N+](=O)[O-])N.C1=CC(=C(C=C1C(F)(F)F)[N+](=O)[O-])N

Isomeric SMILES

C1=CC(=C(C=C1C#N)[N+](=O)[O-])N.C1=CC(=C(C=C1C(F)(F)F)[N+](=O)[O-])N

InChI

InChI=1S/C7H5F3N2O2.C7H5N3O2/c8-7(9,10)4-1-2-5(11)6(3-4)12(13)14;8-4-5-1-2-6(9)7(3-5)10(11)12/h1-3H,11H2;1-3H,9H2