2-[[3,4-bis(oxidanyl)phenyl]methylamino]-6-fluoranyl-benzenecarbonitrile

Systemtic Name: 2-[[3,4-bis(oxidanyl)phenyl]methylamino]-6-fluoranyl-benzenecarbonitrile Openeye Name: 2-[(3,4-dihydroxyphenyl)methylamino]-6-fluoro-benzonitrile CAS Name: 2-[(3,4-dihydroxyphenyl)methylamino]-6-fluorobenzonitrile IUPAC Name: 2-[(3,4-dihydroxyphenyl)methylamino]-6-fluorobenzonitrile Traditional Name: 2-fluoro-6-(protocatechuylamino)benzonitrile Formula: C14H11FN2O2 MolecularWeight: 258.247743

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)F)C#N)NCC2=CC(=C(C=C2)O)O

Isomeric SMILES

C1=CC(=C(C(=C1)F)C#N)NCC2=CC(=C(C=C2)O)O

InChI

InChI=1S/C14H11FN2O2/c15-11-2-1-3-12(10(11)7-16)17-8-9-4-5-13(18)14(19)6-9/h1-6,17-19H,8H2