[4-[[(2-cyano-4-nitro-phenyl)amino]methyl]phenyl]methyl-dimethyl-azanium

Systemtic Name: [4-[[(2-cyano-4-nitro-phenyl)amino]methyl]phenyl]methyl-dimethyl-azanium Openeye Name: [4-[(2-cyano-4-nitro-anilino)methyl]phenyl]methyl-dimethyl-ammonium CAS Name: [4-[(2-cyano-4-nitroanilino)methyl]phenyl]methyl-dimethylammonium IUPAC Name: [4-[(2-cyano-4-nitroanilino)methyl]phenyl]methyl-dimethylazanium Traditional Name: [4-[(2-cyano-4-nitro-anilino)methyl]benzyl]-dimethyl-ammonium Formula: C17H19N4O2+ MolecularWeight: 311.35836

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC1=CC=C(C=C1)CNC2=C(C=C(C=C2)[N+](=O)[O-])C#N

Isomeric SMILES

C[NH+](C)CC1=CC=C(C=C1)CNC2=C(C=C(C=C2)[N+](=O)[O-])C#N

InChI

InChI=1S/C17H18N4O2/c1-20(2)12-14-5-3-13(4-6-14)11-19-17-8-7-16(21(22)23)9-15(17)10-18/h3-9,19H,11-12H2,1-2H3/p+1