[1-(4-ethylpiperazin-1-yl)-1-oxidanylidene-propan-2-yl] 5-(2-chloranyl-4-nitro-phenyl)furan-2-carboxylate

Systemtic Name: [1-(4-ethylpiperazin-1-yl)-1-oxidanylidene-propan-2-yl] 5-(2-chloranyl-4-nitro-phenyl)furan-2-carboxylate Openeye Name: [2-(4-ethylpiperazin-1-yl)-1-methyl-2-oxo-ethyl] 5-(2-chloro-4-nitro-phenyl)furan-2-carboxylate CAS Name: 5-(2-chloro-4-nitrophenyl)-2-furancarboxylic acid [1-(4-ethyl-1-piperazinyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-ethylpiperazin-1-yl)-1-oxopropan-2-yl] 5-(2-chloro-4-nitrophenyl)furan-2-carboxylate Traditional Name: 5-(2-chloro-4-nitro-phenyl)furan-2-carboxylic acid [2-(4-ethylpiperazino)-2-keto-1-methyl-ethyl] ester Formula: C20H22ClN3O6 MolecularWeight: 435.85818

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C(=O)C(C)OC(=O)C2=CC=C(O2)C3=C(C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CCN1CCN(CC1)C(=O)C(C)OC(=O)C2=CC=C(O2)C3=C(C=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C20H22ClN3O6/c1-3-22-8-10-23(11-9-22)19(25)13(2)29-20(26)18-7-6-17(30-18)15-5-4-14(24(27)28)12-16(15)21/h4-7,12-13H,3,8-11H2,1-2H3