2-[4-[(4-bromanyl-3-nitro-phenyl)methylamino]phenyl]ethanenitrile

Systemtic Name: 2-[4-[(4-bromanyl-3-nitro-phenyl)methylamino]phenyl]ethanenitrile Openeye Name: 2-[4-[(4-bromo-3-nitro-phenyl)methylamino]phenyl]acetonitrile CAS Name: 2-[4-[(4-bromo-3-nitrophenyl)methylamino]phenyl]acetonitrile IUPAC Name: 2-[4-[(4-bromo-3-nitrophenyl)methylamino]phenyl]acetonitrile Traditional Name: 2-[4-[(4-bromo-3-nitro-benzyl)amino]phenyl]acetonitrile Formula: C15H12BrN3O2 MolecularWeight: 346.17868

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC#N)NCC2=CC(=C(C=C2)Br)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1CC#N)NCC2=CC(=C(C=C2)Br)[N+](=O)[O-]

InChI

InChI=1S/C15H12BrN3O2/c16-14-6-3-12(9-15(14)19(20)21)10-18-13-4-1-11(2-5-13)7-8-17/h1-6,9,18H,7,10H2