3-[(5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)methylamino]benzenecarbonitrile

Systemtic Name: 3-[(5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)methylamino]benzenecarbonitrile Openeye Name: 3-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methylamino]benzonitrile CAS Name: 3-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methylamino]benzonitrile IUPAC Name: 3-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methylamino]benzonitrile Traditional Name: 3-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methylamino]benzonitrile Formula: C16H13ClN2O2 MolecularWeight: 300.73962

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=C(C=C2Cl)CNC3=CC=CC(=C3)C#N

Isomeric SMILES

C1COC2=C(O1)C=C(C=C2Cl)CNC3=CC=CC(=C3)C#N

InChI

InChI=1S/C16H13ClN2O2/c17-14-7-12(8-15-16(14)21-5-4-20-15)10-19-13-3-1-2-11(6-13)9-18/h1-3,6-8,19H,4-5,10H2