[4-methyl-3-[2,2,2-tris(chloranyl)ethyl]phenyl] 4-nitrobenzoate

Systemtic Name: [4-methyl-3-[2,2,2-tris(chloranyl)ethyl]phenyl] 4-nitrobenzoate Openeye Name: [4-methyl-3-(2,2,2-trichloroethyl)phenyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [4-methyl-3-(2,2,2-trichloroethyl)phenyl] ester IUPAC Name: [4-methyl-3-(2,2,2-trichloroethyl)phenyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [4-methyl-3-(2,2,2-trichloroethyl)phenyl] ester Formula: C16H12Cl3NO4 MolecularWeight: 388.62978

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-])CC(Cl)(Cl)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-])CC(Cl)(Cl)Cl

InChI

InChI=1S/C16H12Cl3NO4/c1-10-2-7-14(8-12(10)9-16(17,18)19)24-15(21)11-3-5-13(6-4-11)20(22)23/h2-8H,9H2,1H3