5-(2-methoxy-3,5-dinitro-phenyl)-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-(2-methoxy-3,5-dinitro-phenyl)-5-oxidanylidene-pentanoic acid Openeye Name: 5-(2-methoxy-3,5-dinitro-phenyl)-5-oxo-pentanoic acid CAS Name: 5-(2-methoxy-3,5-dinitrophenyl)-5-oxopentanoic acid IUPAC Name: 5-(2-methoxy-3,5-dinitrophenyl)-5-oxopentanoic acid Traditional Name: 5-keto-5-(2-methoxy-3,5-dinitro-phenyl)valeric acid Formula: C12H12N2O8 MolecularWeight: 312.23228

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12N2O8/c1-22-12-8(10(15)3-2-4-11(16)17)5-7(13(18)19)6-9(12)14(20)21/h5-6H,2-4H2,1H3,(H,16,17)