5-(5-chloranyl-2-methoxy-3-nitro-phenyl)-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-(5-chloranyl-2-methoxy-3-nitro-phenyl)-5-oxidanylidene-pentanoic acid Openeye Name: 5-(5-chloro-2-methoxy-3-nitro-phenyl)-5-oxo-pentanoic acid CAS Name: 5-(5-chloro-2-methoxy-3-nitrophenyl)-5-oxopentanoic acid IUPAC Name: 5-(5-chloro-2-methoxy-3-nitrophenyl)-5-oxopentanoic acid Traditional Name: 5-(5-chloro-2-methoxy-3-nitro-phenyl)-5-keto-valeric acid Formula: C12H12ClNO6 MolecularWeight: 301.67978

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1C(=O)CCCC(=O)O)Cl)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1C(=O)CCCC(=O)O)Cl)[N+](=O)[O-]

InChI

InChI=1S/C12H12ClNO6/c1-20-12-8(10(15)3-2-4-11(16)17)5-7(13)6-9(12)14(18)19/h5-6H,2-4H2,1H3,(H,16,17)