4-(2-methylphenyl)-4-[2-nitro-5-(pyridin-3-ylmethoxy)phenoxy]butanoic acid

Systemtic Name: 4-(2-methylphenyl)-4-[2-nitro-5-(pyridin-3-ylmethoxy)phenoxy]butanoic acid Openeye Name: 4-[2-nitro-5-(3-pyridylmethoxy)phenoxy]-4-(o-tolyl)butanoic acid CAS Name: 4-(2-methylphenyl)-4-[2-nitro-5-(3-pyridinylmethoxy)phenoxy]butanoic acid IUPAC Name: 4-(2-methylphenyl)-4-[2-nitro-5-(pyridin-3-ylmethoxy)phenoxy]butanoic acid Traditional Name: 4-[2-nitro-5-(3-pyridylmethoxy)phenoxy]-4-(o-tolyl)butyric acid Formula: C23H22N2O6 MolecularWeight: 422.43058

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(CCC(=O)O)OC2=C(C=CC(=C2)OCC3=CN=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1C(CCC(=O)O)OC2=C(C=CC(=C2)OCC3=CN=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C23H22N2O6/c1-16-5-2-3-7-19(16)21(10-11-23(26)27)31-22-13-18(8-9-20(22)25(28)29)30-15-17-6-4-12-24-14-17/h2-9,12-14,21H,10-11,15H2,1H3,(H,26,27)