3-[4-azanyl-3,5-bis(bromanyl)phenyl]propanenitrile

Systemtic Name: 3-[4-azanyl-3,5-bis(bromanyl)phenyl]propanenitrile Openeye Name: 3-(4-amino-3,5-dibromo-phenyl)propanenitrile CAS Name: 3-(4-amino-3,5-dibromophenyl)propanenitrile IUPAC Name: 3-(4-amino-3,5-dibromophenyl)propanenitrile Traditional Name: 3-(4-amino-3,5-dibromo-phenyl)propionitrile Formula: C9H8Br2N2 MolecularWeight: 303.98122

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1Br)N)Br)CCC#N

Isomeric SMILES

C1=C(C=C(C(=C1Br)N)Br)CCC#N

InChI

InChI=1S/C9H8Br2N2/c10-7-4-6(2-1-3-12)5-8(11)9(7)13/h4-5H,1-2,13H2