3-bromanyl-2-isocyanato-5-nitro-benzenecarbonitrile

Systemtic Name: 3-bromanyl-2-isocyanato-5-nitro-benzenecarbonitrile Openeye Name: 3-bromo-2-isocyanato-5-nitro-benzonitrile CAS Name: 3-bromo-2-isocyanato-5-nitrobenzonitrile IUPAC Name: 3-bromo-2-isocyanato-5-nitrobenzonitrile Traditional Name: 3-bromo-2-isocyanato-5-nitro-benzonitrile Formula: C8H2BrN3O3 MolecularWeight: 268.02378

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1Br)N=C=O)C#N)[N+](=O)[O-]

Isomeric SMILES

C1=C(C=C(C(=C1Br)N=C=O)C#N)[N+](=O)[O-]

InChI

InChI=1S/C8H2BrN3O3/c9-7-2-6(12(14)15)1-5(3-10)8(7)11-4-13/h1-2H