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

Systemtic Name: (3-methyl-4-nitro-phenyl) 4-chloranyl-3-nitro-benzoate Openeye Name: (3-methyl-4-nitro-phenyl) 4-chloro-3-nitro-benzoate CAS Name: 4-chloro-3-nitrobenzoic acid (3-methyl-4-nitrophenyl) ester IUPAC Name: (3-methyl-4-nitrophenyl) 4-chloro-3-nitrobenzoate Traditional Name: 4-chloro-3-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=CC(=C(C=C2)Cl)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

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

InChI

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