4-[1-[(6-chloranyl-1,3-benzodioxol-5-yl)amino]ethyl]benzenecarbonitrile

Systemtic Name: 4-[1-[(6-chloranyl-1,3-benzodioxol-5-yl)amino]ethyl]benzenecarbonitrile Openeye Name: 4-[1-[(6-chloro-1,3-benzodioxol-5-yl)amino]ethyl]benzonitrile CAS Name: 4-[1-[(6-chloro-1,3-benzodioxol-5-yl)amino]ethyl]benzonitrile IUPAC Name: 4-[1-[(6-chloro-1,3-benzodioxol-5-yl)amino]ethyl]benzonitrile Traditional Name: 4-[1-[(6-chloro-1,3-benzodioxol-5-yl)amino]ethyl]benzonitrile Formula: C16H13ClN2O2 MolecularWeight: 300.73962

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)C#N)NC2=CC3=C(C=C2Cl)OCO3

Isomeric SMILES

CC(C1=CC=C(C=C1)C#N)NC2=CC3=C(C=C2Cl)OCO3

InChI

InChI=1S/C16H13ClN2O2/c1-10(12-4-2-11(8-18)3-5-12)19-14-7-16-15(6-13(14)17)20-9-21-16/h2-7,10,19H,9H2,1H3