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

Systemtic Name: ethyl 4-[2-nitro-4-(4-pyridin-4-ylpiperazin-1-yl)phenoxy]butanoate Openeye Name: ethyl 4-[2-nitro-4-[4-(4-pyridyl)piperazin-1-yl]phenoxy]butanoate CAS Name: 4-[2-nitro-4-(4-pyridin-4-yl-1-piperazinyl)phenoxy]butanoic acid ethyl ester IUPAC Name: ethyl 4-[2-nitro-4-(4-pyridin-4-ylpiperazin-1-yl)phenoxy]butanoate Traditional Name: 4-[2-nitro-4-[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)CCCOC1=C(C=C(C=C1)N2CCN(CC2)C3=CC=NC=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CCCOC1=C(C=C(C=C1)N2CCN(CC2)C3=CC=NC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H26N4O5/c1-2-29-21(26)4-3-15-30-20-6-5-18(16-19(20)25(27)28)24-13-11-23(12-14-24)17-7-9-22-10-8-17/h5-10,16H,2-4,11-15H2,1H3