2-[bis(cyanomethyl)amino]-6-chloranyl-benzoic acid

Systemtic Name: 2-[bis(cyanomethyl)amino]-6-chloranyl-benzoic acid Openeye Name: 2-[bis(cyanomethyl)amino]-6-chloro-benzoic acid CAS Name: 2-[bis(cyanomethyl)amino]-6-chlorobenzoic acid IUPAC Name: 2-[bis(cyanomethyl)amino]-6-chlorobenzoic acid Traditional Name: 2-[bis(cyanomethyl)amino]-6-chloro-benzoic acid Formula: C11H8ClN3O2 MolecularWeight: 249.65312

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H8ClN3O2/c12-8-2-1-3-9(10(8)11(16)17)15(6-4-13)7-5-14/h1-3H,6-7H2,(H,16,17)