[2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 2-(3-chloranylphenoxy)propanoate

Systemtic Name: [2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 2-(3-chloranylphenoxy)propanoate Openeye Name: [2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxo-ethyl] 2-(3-chlorophenoxy)propanoate CAS Name: 2-(3-chlorophenoxy)propanoic acid [2-[4-(4-nitrophenyl)-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxoethyl] 2-(3-chlorophenoxy)propanoate Traditional Name: 2-(3-chlorophenoxy)propionic acid [2-keto-2-[4-(4-nitrophenyl)piperazino]ethyl] ester Formula: C21H22ClN3O6 MolecularWeight: 447.86888

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22ClN3O6/c1-15(31-19-4-2-3-16(22)13-19)21(27)30-14-20(26)24-11-9-23(10-12-24)17-5-7-18(8-6-17)25(28)29/h2-8,13,15H,9-12,14H2,1H3