3-(4-methoxy-3-nitro-phenyl)pentanedioic acid

Systemtic Name: 3-(4-methoxy-3-nitro-phenyl)pentanedioic acid Openeye Name: 3-(4-methoxy-3-nitro-phenyl)pentanedioic acid CAS Name: 3-(4-methoxy-3-nitrophenyl)pentanedioic acid IUPAC Name: 3-(4-methoxy-3-nitrophenyl)pentanedioic acid Traditional Name: 3-(4-methoxy-3-nitro-phenyl)glutaric acid Formula: C12H13NO7 MolecularWeight: 283.23412

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(CC(=O)O)CC(=O)O)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C(CC(=O)O)CC(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C12H13NO7/c1-20-10-3-2-7(4-9(10)13(18)19)8(5-11(14)15)6-12(16)17/h2-4,8H,5-6H2,1H3,(H,14,15)(H,16,17)