3-(1,3-benzodioxol-5-yl)-2,3-bis(oxidanyl)-2-phenyl-propanenitrile

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-2,3-bis(oxidanyl)-2-phenyl-propanenitrile Openeye Name: 3-(1,3-benzodioxol-5-yl)-2,3-dihydroxy-2-phenyl-propanenitrile CAS Name: 3-(1,3-benzodioxol-5-yl)-2,3-dihydroxy-2-phenylpropanenitrile IUPAC Name: 3-(1,3-benzodioxol-5-yl)-2,3-dihydroxy-2-phenylpropanenitrile Traditional Name: 3-(1,3-benzodioxol-5-yl)-2,3-dihydroxy-2-phenyl-propionitrile Formula: C16H13NO4 MolecularWeight: 283.27872

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13NO4/c17-9-16(19,12-4-2-1-3-5-12)15(18)11-6-7-13-14(8-11)21-10-20-13/h1-8,15,18-19H,10H2