3,6-bis(chloranyl)-2-(cyanomethylamino)benzoic acid

Systemtic Name: 3,6-bis(chloranyl)-2-(cyanomethylamino)benzoic acid Openeye Name: 3,6-dichloro-2-(cyanomethylamino)benzoic acid CAS Name: 3,6-dichloro-2-(cyanomethylamino)benzoic acid IUPAC Name: 3,6-dichloro-2-(cyanomethylamino)benzoic acid Traditional Name: 3,6-dichloro-2-(cyanomethylamino)benzoic acid Formula: C9H6Cl2N2O2 MolecularWeight: 245.06214

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1Cl)C(=O)O)NCC#N)Cl

Isomeric SMILES

C1=CC(=C(C(=C1Cl)C(=O)O)NCC#N)Cl

InChI

InChI=1S/C9H6Cl2N2O2/c10-5-1-2-6(11)8(13-4-3-12)7(5)9(14)15/h1-2,13H,4H2,(H,14,15)