2-[bis(cyanomethyl)amino]-5-fluoranyl-benzoic acid

Systemtic Name: 2-[bis(cyanomethyl)amino]-5-fluoranyl-benzoic acid Openeye Name: 2-[bis(cyanomethyl)amino]-5-fluoro-benzoic acid CAS Name: 2-[bis(cyanomethyl)amino]-5-fluorobenzoic acid IUPAC Name: 2-[bis(cyanomethyl)amino]-5-fluorobenzoic acid Traditional Name: 2-[bis(cyanomethyl)amino]-5-fluoro-benzoic acid Formula: C11H8FN3O2 MolecularWeight: 233.198523

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1F)C(=O)O)N(CC#N)CC#N

Isomeric SMILES

C1=CC(=C(C=C1F)C(=O)O)N(CC#N)CC#N

InChI

InChI=1S/C11H8FN3O2/c12-8-1-2-10(9(7-8)11(16)17)15(5-3-13)6-4-14/h1-2,7H,5-6H2,(H,16,17)