(E)-3-(3,5-ditert-butyl-4-oxidanyl-phenyl)-2-(3-nitrophenyl)carbonyl-prop-2-enenitrile

Systemtic Name: (E)-3-(3,5-ditert-butyl-4-oxidanyl-phenyl)-2-(3-nitrophenyl)carbonyl-prop-2-enenitrile Openeye Name: (E)-3-(3,5-ditert-butyl-4-hydroxy-phenyl)-2-(3-nitrobenzoyl)prop-2-enenitrile CAS Name: (E)-3-(3,5-ditert-butyl-4-hydroxyphenyl)-2-[(3-nitrophenyl)-oxomethyl]-2-propenenitrile IUPAC Name: (E)-3-(3,5-ditert-butyl-4-hydroxyphenyl)-2-(3-nitrobenzoyl)prop-2-enenitrile Traditional Name: (E)-3-(3,5-ditert-butyl-4-hydroxy-phenyl)-2-(3-nitrobenzoyl)acrylonitrile Formula: C24H26N2O4 MolecularWeight: 406.47424

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C=C(C#N)C(=O)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)/C=C(\C#N)/C(=O)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C24H26N2O4/c1-23(2,3)19-11-15(12-20(22(19)28)24(4,5)6)10-17(14-25)21(27)16-8-7-9-18(13-16)26(29)30/h7-13,28H,1-6H3/b17-10+