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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N4O5/c24-19(25)2-1-13-28-18-4-3-16(14-17(18)23(26)27)22-11-9-21(10-12-22)15-5-7-20-8-6-15/h3-8,14H,1-2,9-13H2,(H,24,25)