3-[[3,4-bis(oxidanyl)phenyl]methylamino]-5-fluoranyl-4-methyl-benzenecarbonitrile

Systemtic Name: 3-[[3,4-bis(oxidanyl)phenyl]methylamino]-5-fluoranyl-4-methyl-benzenecarbonitrile Openeye Name: 3-[(3,4-dihydroxyphenyl)methylamino]-5-fluoro-4-methyl-benzonitrile CAS Name: 3-[(3,4-dihydroxyphenyl)methylamino]-5-fluoro-4-methylbenzonitrile IUPAC Name: 3-[(3,4-dihydroxyphenyl)methylamino]-5-fluoro-4-methylbenzonitrile Traditional Name: 3-fluoro-4-methyl-5-(protocatechuylamino)benzonitrile Formula: C15H13FN2O2 MolecularWeight: 272.274323

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1F)C#N)NCC2=CC(=C(C=C2)O)O

Isomeric SMILES

CC1=C(C=C(C=C1F)C#N)NCC2=CC(=C(C=C2)O)O

InChI

InChI=1S/C15H13FN2O2/c1-9-12(16)4-11(7-17)5-13(9)18-8-10-2-3-14(19)15(20)6-10/h2-6,18-20H,8H2,1H3