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

Systemtic Name: 3-[[3-nitro-4-[4-(phenylcarbonyl)piperazin-1-yl]phenyl]carbonylamino]-3-pyridin-3-yl-propanoic acid Openeye Name: 3-[[4-(4-benzoylpiperazin-1-yl)-3-nitro-benzoyl]amino]-3-(3-pyridyl)propanoic acid CAS Name: 3-[[[4-(4-benzoyl-1-piperazinyl)-3-nitrophenyl]-oxomethyl]amino]-3-(3-pyridinyl)propanoic acid IUPAC Name: 3-[[4-(4-benzoylpiperazin-1-yl)-3-nitrobenzoyl]amino]-3-pyridin-3-ylpropanoic acid Traditional Name: 3-[[4-(4-benzoylpiperazino)-3-nitro-benzoyl]amino]-3-(3-pyridyl)propionic acid Formula: C26H25N5O6 MolecularWeight: 503.5066

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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=CC=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=CC=CC=C4

InChI

InChI=1S/C26H25N5O6/c32-24(33)16-21(20-7-4-10-27-17-20)28-25(34)19-8-9-22(23(15-19)31(36)37)29-11-13-30(14-12-29)26(35)18-5-2-1-3-6-18/h1-10,15,17,21H,11-14,16H2,(H,28,34)(H,32,33)