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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC(N1CCN(CC1)C2=CC=NC=C2)OC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C(CC(N1CCN(CC1)C2=CC=NC=C2)OC3=CC=CC=C3)[N+](=O)[O-]

InChI

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