(2,6-dimethylphenyl) 4-chloranyl-3-nitro-benzoate

Systemtic Name: (2,6-dimethylphenyl) 4-chloranyl-3-nitro-benzoate Openeye Name: (2,6-dimethylphenyl) 4-chloro-3-nitro-benzoate CAS Name: 4-chloro-3-nitrobenzoic acid (2,6-dimethylphenyl) ester IUPAC Name: (2,6-dimethylphenyl) 4-chloro-3-nitrobenzoate Traditional Name: 4-chloro-3-nitro-benzoic acid (2,6-dimethylphenyl) ester Formula: C15H12ClNO4 MolecularWeight: 305.71308

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H12ClNO4/c1-9-4-3-5-10(2)14(9)21-15(18)11-6-7-12(16)13(8-11)17(19)20/h3-8H,1-2H3