4-(1,3-benzodioxol-4-ylmethylamino)-2-chloranyl-benzenecarbonitrile

Systemtic Name: 4-(1,3-benzodioxol-4-ylmethylamino)-2-chloranyl-benzenecarbonitrile Openeye Name: 4-(1,3-benzodioxol-4-ylmethylamino)-2-chloro-benzonitrile CAS Name: 4-(1,3-benzodioxol-4-ylmethylamino)-2-chlorobenzonitrile IUPAC Name: 4-(1,3-benzodioxol-4-ylmethylamino)-2-chlorobenzonitrile Traditional Name: 4-(1,3-benzodioxol-4-ylmethylamino)-2-chloro-benzonitrile Formula: C15H11ClN2O2 MolecularWeight: 286.71304

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=CC=CC(=C2O1)CNC3=CC(=C(C=C3)C#N)Cl

Isomeric SMILES

C1OC2=CC=CC(=C2O1)CNC3=CC(=C(C=C3)C#N)Cl

InChI

InChI=1S/C15H11ClN2O2/c16-13-6-12(5-4-10(13)7-17)18-8-11-2-1-3-14-15(11)20-9-19-14/h1-6,18H,8-9H2