ethyl 4-nitro-4-[2-(4-pyridin-4-ylpiperazin-1-yl)phenoxy]butanoate

Systemtic Name: ethyl 4-nitro-4-[2-(4-pyridin-4-ylpiperazin-1-yl)phenoxy]butanoate Openeye Name: ethyl 4-nitro-4-[2-[4-(4-pyridyl)piperazin-1-yl]phenoxy]butanoate CAS Name: 4-nitro-4-[2-(4-pyridin-4-yl-1-piperazinyl)phenoxy]butanoic acid ethyl ester IUPAC Name: ethyl 4-nitro-4-[2-(4-pyridin-4-ylpiperazin-1-yl)phenoxy]butanoate Traditional Name: 4-nitro-4-[2-[4-(4-pyridyl)piperazino]phenoxy]butyric acid ethyl ester Formula: C21H26N4O5 MolecularWeight: 414.45494

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC([N+](=O)[O-])OC1=CC=CC=C1N2CCN(CC2)C3=CC=NC=C3

Isomeric SMILES

CCOC(=O)CCC([N+](=O)[O-])OC1=CC=CC=C1N2CCN(CC2)C3=CC=NC=C3

InChI

InChI=1S/C21H26N4O5/c1-2-29-21(26)8-7-20(25(27)28)30-19-6-4-3-5-18(19)24-15-13-23(14-16-24)17-9-11-22-12-10-17/h3-6,9-12,20H,2,7-8,13-16H2,1H3