3-[(4-bromanyl-3-nitro-phenyl)methylamino]propanenitrile

Systemtic Name: 3-[(4-bromanyl-3-nitro-phenyl)methylamino]propanenitrile Openeye Name: 3-[(4-bromo-3-nitro-phenyl)methylamino]propanenitrile CAS Name: 3-[(4-bromo-3-nitrophenyl)methylamino]propanenitrile IUPAC Name: 3-[(4-bromo-3-nitrophenyl)methylamino]propanenitrile Traditional Name: 3-[(4-bromo-3-nitro-benzyl)amino]propionitrile Formula: C10H10BrN3O2 MolecularWeight: 284.1093

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1CNCCC#N)[N+](=O)[O-])Br

Isomeric SMILES

C1=CC(=C(C=C1CNCCC#N)[N+](=O)[O-])Br

InChI

InChI=1S/C10H10BrN3O2/c11-9-3-2-8(6-10(9)14(15)16)7-13-5-1-4-12/h2-3,6,13H,1,5,7H2