2-(6-bromanyl-1,3-benzodioxol-5-yl)-2-phenylazanyl-ethanenitrile

Systemtic Name: 2-(6-bromanyl-1,3-benzodioxol-5-yl)-2-phenylazanyl-ethanenitrile Openeye Name: 2-anilino-2-(6-bromo-1,3-benzodioxol-5-yl)acetonitrile CAS Name: 2-anilino-2-(6-bromo-1,3-benzodioxol-5-yl)acetonitrile IUPAC Name: 2-anilino-2-(6-bromo-1,3-benzodioxol-5-yl)acetonitrile Traditional Name: 2-anilino-2-(6-bromo-1,3-benzodioxol-5-yl)acetonitrile Formula: C15H11BrN2O2 MolecularWeight: 331.16404

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)C(C#N)NC3=CC=CC=C3)Br

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)C(C#N)NC3=CC=CC=C3)Br

InChI

InChI=1S/C15H11BrN2O2/c16-12-7-15-14(19-9-20-15)6-11(12)13(8-17)18-10-4-2-1-3-5-10/h1-7,13,18H,9H2