3-(1,3-benzodioxol-5-yl)-3-phenylazanyl-propanenitrile

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-3-phenylazanyl-propanenitrile Openeye Name: 3-anilino-3-(1,3-benzodioxol-5-yl)propanenitrile CAS Name: 3-anilino-3-(1,3-benzodioxol-5-yl)propanenitrile IUPAC Name: 3-anilino-3-(1,3-benzodioxol-5-yl)propanenitrile Traditional Name: 3-anilino-3-(1,3-benzodioxol-5-yl)propionitrile Formula: C16H14N2O2 MolecularWeight: 266.29456

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14N2O2/c17-9-8-14(18-13-4-2-1-3-5-13)12-6-7-15-16(10-12)20-11-19-15/h1-7,10,14,18H,8,11H2