methyl 2-(2-chlorophenyl)-2-[4-(4-ethanoyl-2-nitro-phenyl)piperazin-1-yl]ethanoate

Systemtic Name: methyl 2-(2-chlorophenyl)-2-[4-(4-ethanoyl-2-nitro-phenyl)piperazin-1-yl]ethanoate Openeye Name: methyl 2-[4-(4-acetyl-2-nitro-phenyl)piperazin-1-yl]-2-(2-chlorophenyl)acetate CAS Name: 2-[4-(4-acetyl-2-nitrophenyl)-1-piperazinyl]-2-(2-chlorophenyl)acetic acid methyl ester IUPAC Name: methyl 2-[4-(4-acetyl-2-nitrophenyl)piperazin-1-yl]-2-(2-chlorophenyl)acetate Traditional Name: 2-[4-(4-acetyl-2-nitro-phenyl)piperazino]-2-(2-chlorophenyl)acetic acid methyl ester Formula: C21H22ClN3O5 MolecularWeight: 431.86948

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(C3=CC=CC=C3Cl)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(C3=CC=CC=C3Cl)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C21H22ClN3O5/c1-14(26)15-7-8-18(19(13-15)25(28)29)23-9-11-24(12-10-23)20(21(27)30-2)16-5-3-4-6-17(16)22/h3-8,13,20H,9-12H2,1-2H3