(2-tert-butyl-4-methyl-phenyl) 4-chloranyl-3-nitro-benzoate

Systemtic Name: (2-tert-butyl-4-methyl-phenyl) 4-chloranyl-3-nitro-benzoate Openeye Name: (2-tert-butyl-4-methyl-phenyl) 4-chloro-3-nitro-benzoate CAS Name: 4-chloro-3-nitrobenzoic acid (2-tert-butyl-4-methylphenyl) ester IUPAC Name: (2-tert-butyl-4-methylphenyl) 4-chloro-3-nitrobenzoate Traditional Name: 4-chloro-3-nitro-benzoic acid (2-tert-butyl-4-methyl-phenyl) ester Formula: C18H18ClNO4 MolecularWeight: 347.79282

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18ClNO4/c1-11-5-8-16(13(9-11)18(2,3)4)24-17(21)12-6-7-14(19)15(10-12)20(22)23/h5-10H,1-4H3