3-bromanyl-4-[(4-methyl-3-nitro-phenyl)methylamino]benzenecarbonitrile

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H12BrN3O2/c1-10-2-3-12(7-15(10)19(20)21)9-18-14-5-4-11(8-17)6-13(14)16/h2-7,18H,9H2,1H3