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

Systemtic Name: 4-[(1,3-benzodioxol-5-ylamino)methyl]benzenecarbonitrile Openeye Name: 4-[(1,3-benzodioxol-5-ylamino)methyl]benzonitrile CAS Name: 4-[(1,3-benzodioxol-5-ylamino)methyl]benzonitrile IUPAC Name: 4-[(1,3-benzodioxol-5-ylamino)methyl]benzonitrile Traditional Name: 4-[(1,3-benzodioxol-5-ylamino)methyl]benzonitrile Formula: C15H12N2O2 MolecularWeight: 252.26798

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H12N2O2/c16-8-11-1-3-12(4-2-11)9-17-13-5-6-14-15(7-13)19-10-18-14/h1-7,17H,9-10H2