ethyl 4-[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-oxidanylidene-ethoxy]-3-nitro-benzoate

Systemtic Name: ethyl 4-[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-oxidanylidene-ethoxy]-3-nitro-benzoate Openeye Name: ethyl 4-[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-oxo-ethoxy]-3-nitro-benzoate CAS Name: 4-[2-[4-[(4-chlorophenyl)methyl]-1-piperazinyl]-2-oxoethoxy]-3-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 4-[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-oxoethoxy]-3-nitrobenzoate Traditional Name: 4-[2-[4-(4-chlorobenzyl)piperazino]-2-keto-ethoxy]-3-nitro-benzoic acid ethyl ester Formula: C22H24ClN3O6 MolecularWeight: 461.89546

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)OCC(=O)N2CCN(CC2)CC3=CC=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)OCC(=O)N2CCN(CC2)CC3=CC=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C22H24ClN3O6/c1-2-31-22(28)17-5-8-20(19(13-17)26(29)30)32-15-21(27)25-11-9-24(10-12-25)14-16-3-6-18(23)7-4-16/h3-8,13H,2,9-12,14-15H2,1H3