[3,5-bis(chloranyl)-4-methyl-phenyl] 2-nitrobenzoate

Systemtic Name: [3,5-bis(chloranyl)-4-methyl-phenyl] 2-nitrobenzoate Openeye Name: (3,5-dichloro-4-methyl-phenyl) 2-nitrobenzoate CAS Name: 2-nitrobenzoic acid (3,5-dichloro-4-methylphenyl) ester IUPAC Name: (3,5-dichloro-4-methylphenyl) 2-nitrobenzoate Traditional Name: 2-nitrobenzoic acid (3,5-dichloro-4-methyl-phenyl) ester Formula: C14H9Cl2NO4 MolecularWeight: 326.13156

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1Cl)OC(=O)C2=CC=CC=C2[N+](=O)[O-])Cl

Isomeric SMILES

CC1=C(C=C(C=C1Cl)OC(=O)C2=CC=CC=C2[N+](=O)[O-])Cl

InChI

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