2-(3,4-dichlorophenyl)-4-nitro-heptanedioic acid

Systemtic Name: 2-(3,4-dichlorophenyl)-4-nitro-heptanedioic acid Openeye Name: 2-(3,4-dichlorophenyl)-4-nitro-heptanedioic acid CAS Name: 2-(3,4-dichlorophenyl)-4-nitroheptanedioic acid IUPAC Name: 2-(3,4-dichlorophenyl)-4-nitroheptanedioic acid Traditional Name: 2-(3,4-dichlorophenyl)-4-nitro-pimelic acid Formula: C13H13Cl2NO6 MolecularWeight: 350.15142

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(CC(CCC(=O)O)[N+](=O)[O-])C(=O)O)Cl)Cl

Isomeric SMILES

C1=CC(=C(C=C1C(CC(CCC(=O)O)[N+](=O)[O-])C(=O)O)Cl)Cl

InChI

InChI=1S/C13H13Cl2NO6/c14-10-3-1-7(5-11(10)15)9(13(19)20)6-8(16(21)22)2-4-12(17)18/h1,3,5,8-9H,2,4,6H2,(H,17,18)(H,19,20)