2,2-bis[(2-nitrophenyl)methyl]heptanedioic acid

Systemtic Name: 2,2-bis[(2-nitrophenyl)methyl]heptanedioic acid Openeye Name: 2,2-bis[(2-nitrophenyl)methyl]heptanedioic acid CAS Name: 2,2-bis[(2-nitrophenyl)methyl]heptanedioic acid IUPAC Name: 2,2-bis[(2-nitrophenyl)methyl]heptanedioic acid Traditional Name: 2,2-bis(2-nitrobenzyl)pimelic acid Formula: C21H22N2O8 MolecularWeight: 430.40798

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CC(CCCCC(=O)O)(CC2=CC=CC=C2[N+](=O)[O-])C(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)CC(CCCCC(=O)O)(CC2=CC=CC=C2[N+](=O)[O-])C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C21H22N2O8/c24-19(25)11-5-6-12-21(20(26)27,13-15-7-1-3-9-17(15)22(28)29)14-16-8-2-4-10-18(16)23(30)31/h1-4,7-10H,5-6,11-14H2,(H,24,25)(H,26,27)