2-nitro-4-phenoxy-4-(4-pyridin-4-ylpiperazin-1-yl)butanoic acid

Systemtic Name: 2-nitro-4-phenoxy-4-(4-pyridin-4-ylpiperazin-1-yl)butanoic acid Openeye Name: 2-nitro-4-phenoxy-4-[4-(4-pyridyl)piperazin-1-yl]butanoic acid CAS Name: 2-nitro-4-phenoxy-4-(4-pyridin-4-yl-1-piperazinyl)butanoic acid IUPAC Name: 2-nitro-4-phenoxy-4-(4-pyridin-4-ylpiperazin-1-yl)butanoic acid Traditional Name: 2-nitro-4-phenoxy-4-[4-(4-pyridyl)piperazino]butyric acid Formula: C19H22N4O5 MolecularWeight: 386.40178

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=NC=C2)C(CC(C(=O)O)[N+](=O)[O-])OC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1C2=CC=NC=C2)C(CC(C(=O)O)[N+](=O)[O-])OC3=CC=CC=C3

InChI

InChI=1S/C19H22N4O5/c24-19(25)17(23(26)27)14-18(28-16-4-2-1-3-5-16)22-12-10-21(11-13-22)15-6-8-20-9-7-15/h1-9,17-18H,10-14H2,(H,24,25)