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

Systemtic Name: 5-(1,3-benzodioxol-5-yl)-2,3-bis(oxidanyl)-3-phenyl-cyclopentene-1-carbonitrile Openeye Name: 5-(1,3-benzodioxol-5-yl)-2,3-dihydroxy-3-phenyl-cyclopentene-1-carbonitrile CAS Name: 5-(1,3-benzodioxol-5-yl)-2,3-dihydroxy-3-phenyl-1-cyclopentenecarbonitrile IUPAC Name: 5-(1,3-benzodioxol-5-yl)-2,3-dihydroxy-3-phenylcyclopentene-1-carbonitrile Traditional Name: 5-(1,3-benzodioxol-5-yl)-2,3-dihydroxy-3-phenyl-cyclopentene-1-carbonitrile Formula: C19H15NO4 MolecularWeight: 321.3267

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=C(C1(C2=CC=CC=C2)O)O)C#N)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1C(C(=C(C1(C2=CC=CC=C2)O)O)C#N)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C19H15NO4/c20-10-15-14(12-6-7-16-17(8-12)24-11-23-16)9-19(22,18(15)21)13-4-2-1-3-5-13/h1-8,14,21-22H,9,11H2