5-bromanyl-2-isocyanato-benzenecarbonitrile

Systemtic Name: 5-bromanyl-2-isocyanato-benzenecarbonitrile Openeye Name: 5-bromo-2-isocyanato-benzonitrile CAS Name: 5-bromo-2-isocyanatobenzonitrile IUPAC Name: 5-bromo-2-isocyanatobenzonitrile Traditional Name: 5-bromo-2-isocyanato-benzonitrile Formula: C8H3BrN2O MolecularWeight: 223.02622

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Br)C#N)N=C=O

Isomeric SMILES

C1=CC(=C(C=C1Br)C#N)N=C=O

InChI

InChI=1S/C8H3BrN2O/c9-7-1-2-8(11-5-12)6(3-7)4-10/h1-3H