3-(4-fluorophenyl)-3-[[3-nitro-4-(4-pyridin-3-ylcarbonylpiperazin-1-yl)phenyl]carbonylamino]propanoic acid

Systemtic Name: 3-(4-fluorophenyl)-3-[[3-nitro-4-(4-pyridin-3-ylcarbonylpiperazin-1-yl)phenyl]carbonylamino]propanoic acid Openeye Name: 3-(4-fluorophenyl)-3-[[3-nitro-4-[4-(pyridine-3-carbonyl)piperazin-1-yl]benzoyl]amino]propanoic acid CAS Name: 3-(4-fluorophenyl)-3-[[[3-nitro-4-[4-[oxo(3-pyridinyl)methyl]-1-piperazinyl]phenyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-(4-fluorophenyl)-3-[[3-nitro-4-[4-(pyridine-3-carbonyl)piperazin-1-yl]benzoyl]amino]propanoic acid Traditional Name: 3-(4-fluorophenyl)-3-[[4-(4-nicotinoylpiperazino)-3-nitro-benzoyl]amino]propionic acid Formula: C26H24FN5O6 MolecularWeight: 521.497063

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=C2)C(=O)NC(CC(=O)O)C3=CC=C(C=C3)F)[N+](=O)[O-])C(=O)C4=CN=CC=C4

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)C(=O)NC(CC(=O)O)C3=CC=C(C=C3)F)[N+](=O)[O-])C(=O)C4=CN=CC=C4

InChI

InChI=1S/C26H24FN5O6/c27-20-6-3-17(4-7-20)21(15-24(33)34)29-25(35)18-5-8-22(23(14-18)32(37)38)30-10-12-31(13-11-30)26(36)19-2-1-9-28-16-19/h1-9,14,16,21H,10-13,15H2,(H,29,35)(H,33,34)