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

Systemtic Name: 3-[[3-nitro-4-(4-pyridin-3-ylcarbonylpiperazin-1-yl)phenyl]carbonylamino]-3-pyridin-3-yl-propanoic acid Openeye Name: 3-[[3-nitro-4-[4-(pyridine-3-carbonyl)piperazin-1-yl]benzoyl]amino]-3-(3-pyridyl)propanoic acid CAS Name: 3-[[[3-nitro-4-[4-[oxo(3-pyridinyl)methyl]-1-piperazinyl]phenyl]-oxomethyl]amino]-3-(3-pyridinyl)propanoic acid IUPAC Name: 3-[[3-nitro-4-[4-(pyridine-3-carbonyl)piperazin-1-yl]benzoyl]amino]-3-pyridin-3-ylpropanoic acid Traditional Name: 3-[[4-(4-nicotinoylpiperazino)-3-nitro-benzoyl]amino]-3-(3-pyridyl)propionic acid Formula: C25H24N6O6 MolecularWeight: 504.49466

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C25H24N6O6/c32-23(33)14-20(18-3-1-7-26-15-18)28-24(34)17-5-6-21(22(13-17)31(36)37)29-9-11-30(12-10-29)25(35)19-4-2-8-27-16-19/h1-8,13,15-16,20H,9-12,14H2,(H,28,34)(H,32,33)