4-[(1,3-benzodioxol-5-ylamino)methyl]-3-fluoranyl-benzenecarbonitrile

Systemtic Name: 4-[(1,3-benzodioxol-5-ylamino)methyl]-3-fluoranyl-benzenecarbonitrile Openeye Name: 4-[(1,3-benzodioxol-5-ylamino)methyl]-3-fluoro-benzonitrile CAS Name: 4-[(1,3-benzodioxol-5-ylamino)methyl]-3-fluorobenzonitrile IUPAC Name: 4-[(1,3-benzodioxol-5-ylamino)methyl]-3-fluorobenzonitrile Traditional Name: 4-[(1,3-benzodioxol-5-ylamino)methyl]-3-fluoro-benzonitrile Formula: C15H11FN2O2 MolecularWeight: 270.258443

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NCC3=C(C=C(C=C3)C#N)F

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NCC3=C(C=C(C=C3)C#N)F

InChI

InChI=1S/C15H11FN2O2/c16-13-5-10(7-17)1-2-11(13)8-18-12-3-4-14-15(6-12)20-9-19-14/h1-6,18H,8-9H2