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

Systemtic Name: (3-methyl-4-nitro-phenyl) 2-chloranyl-4-nitro-benzoate Openeye Name: (3-methyl-4-nitro-phenyl) 2-chloro-4-nitro-benzoate CAS Name: 2-chloro-4-nitrobenzoic acid (3-methyl-4-nitrophenyl) ester IUPAC Name: (3-methyl-4-nitrophenyl) 2-chloro-4-nitrobenzoate Traditional Name: 2-chloro-4-nitro-benzoic acid (3-methyl-4-nitro-phenyl) ester Formula: C14H9ClN2O6 MolecularWeight: 336.68406

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H9ClN2O6/c1-8-6-10(3-5-13(8)17(21)22)23-14(18)11-4-2-9(16(19)20)7-12(11)15/h2-7H,1H3