(3,4-dichlorophenyl) 3-methyl-4-nitro-benzoate

Systemtic Name: (3,4-dichlorophenyl) 3-methyl-4-nitro-benzoate Openeye Name: (3,4-dichlorophenyl) 3-methyl-4-nitro-benzoate CAS Name: 3-methyl-4-nitrobenzoic acid (3,4-dichlorophenyl) ester IUPAC Name: (3,4-dichlorophenyl) 3-methyl-4-nitrobenzoate Traditional Name: 3-methyl-4-nitro-benzoic acid (3,4-dichlorophenyl) ester Formula: C14H9Cl2NO4 MolecularWeight: 326.13156

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)OC2=CC(=C(C=C2)Cl)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)OC2=CC(=C(C=C2)Cl)Cl)[N+](=O)[O-]

InChI

InChI=1S/C14H9Cl2NO4/c1-8-6-9(2-5-13(8)17(19)20)14(18)21-10-3-4-11(15)12(16)7-10/h2-7H,1H3