[4-methyl-3-[1,1,1-tris(chloranyl)propan-2-yl]phenyl] 4-nitrobenzoate

Systemtic Name: [4-methyl-3-[1,1,1-tris(chloranyl)propan-2-yl]phenyl] 4-nitrobenzoate Openeye Name: [4-methyl-3-(2,2,2-trichloro-1-methyl-ethyl)phenyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [4-methyl-3-(1,1,1-trichloropropan-2-yl)phenyl] ester IUPAC Name: [4-methyl-3-(1,1,1-trichloropropan-2-yl)phenyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [4-methyl-3-(2,2,2-trichloro-1-methyl-ethyl)phenyl] ester Formula: C17H14Cl3NO4 MolecularWeight: 402.65636

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-])C(C)C(Cl)(Cl)Cl

Isomeric SMILES

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

InChI

InChI=1S/C17H14Cl3NO4/c1-10-3-8-14(9-15(10)11(2)17(18,19)20)25-16(22)12-4-6-13(7-5-12)21(23)24/h3-9,11H,1-2H3