(4-tert-butyl-2,6-dimethyl-phenyl)methyl (E)-3-(4-nitrophenyl)prop-2-enoate

Systemtic Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl (E)-3-(4-nitrophenyl)prop-2-enoate Openeye Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl (E)-3-(4-nitrophenyl)prop-2-enoate CAS Name: (E)-3-(4-nitrophenyl)-2-propenoic acid (4-tert-butyl-2,6-dimethylphenyl)methyl ester IUPAC Name: (4-tert-butyl-2,6-dimethylphenyl)methyl (E)-3-(4-nitrophenyl)prop-2-enoate Traditional Name: (E)-3-(4-nitrophenyl)acrylic acid (4-tert-butyl-2,6-dimethyl-benzyl) ester Formula: C22H25NO4 MolecularWeight: 367.4382

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1COC(=O)C=CC2=CC=C(C=C2)[N+](=O)[O-])C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1COC(=O)/C=C/C2=CC=C(C=C2)[N+](=O)[O-])C)C(C)(C)C

InChI

InChI=1S/C22H25NO4/c1-15-12-18(22(3,4)5)13-16(2)20(15)14-27-21(24)11-8-17-6-9-19(10-7-17)23(25)26/h6-13H,14H2,1-5H3/b11-8+