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4-[bis(cyanomethyl)amino]-3-fluoranyl-benzoate

4-[bis(cyanomethyl)amino]-3-fluoranyl-benzoate

Systemtic Name:4-[bis(cyanomethyl)amino]-3-fluoranyl-benzoate
Openeye Name:4-[bis(cyanomethyl)amino]-3-fluoro-benzoate
CAS Name:4-[bis(cyanomethyl)amino]-3-fluorobenzoate
IUPAC Name:4-[bis(cyanomethyl)amino]-3-fluorobenzoate
Traditional Name:4-[bis(cyanomethyl)amino]-3-fluoro-benzoate
Formula: C11H7FN3O2-
MolecularWeight: 232.190583
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)[O-])F)N(CC#N)CC#N


Isomeric SMILES

C1=CC(=C(C=C1C(=O)[O-])F)N(CC#N)CC#N


InChI

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


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