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

Systemtic Name: 3-fluoranyl-5-[(3-methoxy-4-oxidanyl-phenyl)methylamino]-4-methyl-benzenecarbonitrile Openeye Name: 3-fluoro-5-[(4-hydroxy-3-methoxy-phenyl)methylamino]-4-methyl-benzonitrile CAS Name: 3-fluoro-5-[(4-hydroxy-3-methoxyphenyl)methylamino]-4-methylbenzonitrile IUPAC Name: 3-fluoro-5-[(4-hydroxy-3-methoxyphenyl)methylamino]-4-methylbenzonitrile Traditional Name: 3-fluoro-4-methyl-5-(vanillylamino)benzonitrile Formula: C16H15FN2O2 MolecularWeight: 286.300903

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15FN2O2/c1-10-13(17)5-12(8-18)6-14(10)19-9-11-3-4-15(20)16(7-11)21-2/h3-7,19-20H,9H2,1-2H3