(4-ethanoyl-2-methoxy-phenyl) 4-chloranyl-3-nitro-benzoate

Systemtic Name: (4-ethanoyl-2-methoxy-phenyl) 4-chloranyl-3-nitro-benzoate Openeye Name: (4-acetyl-2-methoxy-phenyl) 4-chloro-3-nitro-benzoate CAS Name: 4-chloro-3-nitrobenzoic acid (4-acetyl-2-methoxyphenyl) ester IUPAC Name: (4-acetyl-2-methoxyphenyl) 4-chloro-3-nitrobenzoate Traditional Name: 4-chloro-3-nitro-benzoic acid (4-acetyl-2-methoxy-phenyl) ester Formula: C16H12ClNO6 MolecularWeight: 349.72258

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12ClNO6/c1-9(19)10-4-6-14(15(8-10)23-2)24-16(20)11-3-5-12(17)13(7-11)18(21)22/h3-8H,1-2H3