3-[1-[(4-bromanyl-2-nitro-phenyl)amino]ethyl]benzenecarbonitrile

Systemtic Name: 3-[1-[(4-bromanyl-2-nitro-phenyl)amino]ethyl]benzenecarbonitrile Openeye Name: 3-[1-(4-bromo-2-nitro-anilino)ethyl]benzonitrile CAS Name: 3-[1-(4-bromo-2-nitroanilino)ethyl]benzonitrile IUPAC Name: 3-[1-(4-bromo-2-nitroanilino)ethyl]benzonitrile Traditional Name: 3-[1-(4-bromo-2-nitro-anilino)ethyl]benzonitrile Formula: C15H12BrN3O2 MolecularWeight: 346.17868

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC(=C1)C#N)NC2=C(C=C(C=C2)Br)[N+](=O)[O-]

Isomeric SMILES

CC(C1=CC=CC(=C1)C#N)NC2=C(C=C(C=C2)Br)[N+](=O)[O-]

InChI

InChI=1S/C15H12BrN3O2/c1-10(12-4-2-3-11(7-12)9-17)18-14-6-5-13(16)8-15(14)19(20)21/h2-8,10,18H,1H3