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

Systemtic Name: 2-[(4-bromanyl-3-nitro-phenyl)methylamino]benzenecarbonitrile Openeye Name: 2-[(4-bromo-3-nitro-phenyl)methylamino]benzonitrile CAS Name: 2-[(4-bromo-3-nitrophenyl)methylamino]benzonitrile IUPAC Name: 2-[(4-bromo-3-nitrophenyl)methylamino]benzonitrile Traditional Name: 2-[(4-bromo-3-nitro-benzyl)amino]benzonitrile Formula: C14H10BrN3O2 MolecularWeight: 332.1521

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H10BrN3O2/c15-12-6-5-10(7-14(12)18(19)20)9-17-13-4-2-1-3-11(13)8-16/h1-7,17H,9H2