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

Systemtic Name: 3-[[4-[4-(4-cyanophenyl)carbonylpiperazin-1-yl]-3-nitro-phenyl]carbonylamino]-3-pyridin-3-yl-propanoic acid Openeye Name: 3-[[4-[4-(4-cyanobenzoyl)piperazin-1-yl]-3-nitro-benzoyl]amino]-3-(3-pyridyl)propanoic acid CAS Name: 3-[[[4-[4-[(4-cyanophenyl)-oxomethyl]-1-piperazinyl]-3-nitrophenyl]-oxomethyl]amino]-3-(3-pyridinyl)propanoic acid IUPAC Name: 3-[[4-[4-(4-cyanobenzoyl)piperazin-1-yl]-3-nitrobenzoyl]amino]-3-pyridin-3-ylpropanoic acid Traditional Name: 3-[[4-[4-(4-cyanobenzoyl)piperazino]-3-nitro-benzoyl]amino]-3-(3-pyridyl)propionic acid Formula: C27H24N6O6 MolecularWeight: 528.51606

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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=C(C=C4)C#N

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=C(C=C4)C#N

InChI

InChI=1S/C27H24N6O6/c28-16-18-3-5-19(6-4-18)27(37)32-12-10-31(11-13-32)23-8-7-20(14-24(23)33(38)39)26(36)30-22(15-25(34)35)21-2-1-9-29-17-21/h1-9,14,17,22H,10-13,15H2,(H,30,36)(H,34,35)