2-(3,4-dimethylphenyl)-4-(dioxidanyl)-2-(3-oxidanylpropyl)pent-4-enenitrile

Systemtic Name: 2-(3,4-dimethylphenyl)-4-(dioxidanyl)-2-(3-oxidanylpropyl)pent-4-enenitrile Openeye Name: 2-(3,4-dimethylphenyl)-4-hydroperoxy-2-(3-hydroxypropyl)pent-4-enenitrile CAS Name: 2-(3,4-dimethylphenyl)-4-hydroperoxy-2-(3-hydroxypropyl)-4-pentenenitrile IUPAC Name: 2-(3,4-dimethylphenyl)-4-hydroperoxy-2-(3-hydroxypropyl)pent-4-enenitrile Traditional Name: 2-(3,4-dimethylphenyl)-4-hydroperoxy-2-(3-hydroxypropyl)pent-4-enenitrile Formula: C16H21NO3 MolecularWeight: 275.34284

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(CCCO)(CC(=C)OO)C#N)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(CCCO)(CC(=C)OO)C#N)C

InChI

InChI=1S/C16H21NO3/c1-12-5-6-15(9-13(12)2)16(11-17,7-4-8-18)10-14(3)20-19/h5-6,9,18-19H,3-4,7-8,10H2,1-2H3