3-[4-[4-nitro-3-(4-propylpiperidin-1-yl)phenoxy]phenyl]-2-oxidanylidene-propanoic acid

Systemtic Name: 3-[4-[4-nitro-3-(4-propylpiperidin-1-yl)phenoxy]phenyl]-2-oxidanylidene-propanoic acid Openeye Name: 3-[4-[4-nitro-3-(4-propyl-1-piperidyl)phenoxy]phenyl]-2-oxo-propanoic acid CAS Name: 3-[4-[4-nitro-3-(4-propyl-1-piperidinyl)phenoxy]phenyl]-2-oxopropanoic acid IUPAC Name: 3-[4-[4-nitro-3-(4-propylpiperidin-1-yl)phenoxy]phenyl]-2-oxopropanoic acid Traditional Name: 2-keto-3-[4-[4-nitro-3-(4-propylpiperidino)phenoxy]phenyl]propionic acid Formula: C23H26N2O6 MolecularWeight: 426.46234

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1CCN(CC1)C2=C(C=CC(=C2)OC3=CC=C(C=C3)CC(=O)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CCCC1CCN(CC1)C2=C(C=CC(=C2)OC3=CC=C(C=C3)CC(=O)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C23H26N2O6/c1-2-3-16-10-12-24(13-11-16)21-15-19(8-9-20(21)25(29)30)31-18-6-4-17(5-7-18)14-22(26)23(27)28/h4-9,15-16H,2-3,10-14H2,1H3,(H,27,28)