(E)-2-(4-tert-butylphenyl)carbonyl-3-(4,5-dimethoxy-2-nitro-phenyl)prop-2-enenitrile

Systemtic Name: (E)-2-(4-tert-butylphenyl)carbonyl-3-(4,5-dimethoxy-2-nitro-phenyl)prop-2-enenitrile Openeye Name: (E)-2-(4-tert-butylbenzoyl)-3-(4,5-dimethoxy-2-nitro-phenyl)prop-2-enenitrile CAS Name: (E)-2-[(4-tert-butylphenyl)-oxomethyl]-3-(4,5-dimethoxy-2-nitrophenyl)-2-propenenitrile IUPAC Name: (E)-2-(4-tert-butylbenzoyl)-3-(4,5-dimethoxy-2-nitrophenyl)prop-2-enenitrile Traditional Name: (E)-2-(4-tert-butylbenzoyl)-3-(4,5-dimethoxy-2-nitro-phenyl)acrylonitrile Formula: C22H22N2O5 MolecularWeight: 394.42048

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)C(=CC2=CC(=C(C=C2[N+](=O)[O-])OC)OC)C#N

Isomeric SMILES

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

InChI

InChI=1S/C22H22N2O5/c1-22(2,3)17-8-6-14(7-9-17)21(25)16(13-23)10-15-11-19(28-4)20(29-5)12-18(15)24(26)27/h6-12H,1-5H3/b16-10+