[4-(2,4,4-trimethylpentan-2-yl)phenyl] 3-(3-nitrophenyl)prop-2-enoate

Systemtic Name: [4-(2,4,4-trimethylpentan-2-yl)phenyl] 3-(3-nitrophenyl)prop-2-enoate Openeye Name: [4-(1,1,3,3-tetramethylbutyl)phenyl] 3-(3-nitrophenyl)prop-2-enoate CAS Name: 3-(3-nitrophenyl)-2-propenoic acid [4-(2,4,4-trimethylpentan-2-yl)phenyl] ester IUPAC Name: [4-(2,4,4-trimethylpentan-2-yl)phenyl] 3-(3-nitrophenyl)prop-2-enoate Traditional Name: 3-(3-nitrophenyl)acrylic acid [4-(1,1,3,3-tetramethylbutyl)phenyl] ester Formula: C23H27NO4 MolecularWeight: 381.46478

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27NO4/c1-22(2,3)16-23(4,5)18-10-12-20(13-11-18)28-21(25)14-9-17-7-6-8-19(15-17)24(26)27/h6-15H,16H2,1-5H3