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

Systemtic Name: 3-[4-[3-(4-ethoxycarbonylpiperidin-1-yl)-4-nitro-phenoxy]phenyl]-2-oxidanylidene-propanoic acid Openeye Name: 3-[4-[3-(4-ethoxycarbonyl-1-piperidyl)-4-nitro-phenoxy]phenyl]-2-oxo-propanoic acid CAS Name: 3-[4-[3-(4-ethoxycarbonyl-1-piperidinyl)-4-nitrophenoxy]phenyl]-2-oxopropanoic acid IUPAC Name: 3-[4-[3-(4-ethoxycarbonylpiperidin-1-yl)-4-nitrophenoxy]phenyl]-2-oxopropanoic acid Traditional Name: 3-[4-[3-(4-carbethoxypiperidino)-4-nitro-phenoxy]phenyl]-2-keto-propionic acid Formula: C23H24N2O8 MolecularWeight: 456.44526

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C2=C(C=CC(=C2)OC3=CC=C(C=C3)CC(=O)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C2=C(C=CC(=C2)OC3=CC=C(C=C3)CC(=O)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C23H24N2O8/c1-2-32-23(29)16-9-11-24(12-10-16)20-14-18(7-8-19(20)25(30)31)33-17-5-3-15(4-6-17)13-21(26)22(27)28/h3-8,14,16H,2,9-13H2,1H3,(H,27,28)