2-(4-methoxy-4-oxidanylidene-butoxy)-5-nitro-benzoic acid

Systemtic Name: 2-(4-methoxy-4-oxidanylidene-butoxy)-5-nitro-benzoic acid Openeye Name: 2-(4-methoxy-4-oxo-butoxy)-5-nitro-benzoic acid CAS Name: 2-(4-methoxy-4-oxobutoxy)-5-nitrobenzoic acid IUPAC Name: 2-(4-methoxy-4-oxobutoxy)-5-nitrobenzoic acid Traditional Name: 2-(4-keto-4-methoxy-butoxy)-5-nitro-benzoic acid Formula: C12H13NO7 MolecularWeight: 283.23412

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCOC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)O

Isomeric SMILES

COC(=O)CCCOC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C12H13NO7/c1-19-11(14)3-2-6-20-10-5-4-8(13(17)18)7-9(10)12(15)16/h4-5,7H,2-3,6H2,1H3,(H,15,16)