methyl 2-(2-chlorophenyl)-2-[4-(3-methyl-4-nitro-phenyl)carbonylpiperazin-1-yl]ethanoate

Systemtic Name: methyl 2-(2-chlorophenyl)-2-[4-(3-methyl-4-nitro-phenyl)carbonylpiperazin-1-yl]ethanoate Openeye Name: methyl 2-(2-chlorophenyl)-2-[4-(3-methyl-4-nitro-benzoyl)piperazin-1-yl]acetate CAS Name: 2-(2-chlorophenyl)-2-[4-[(3-methyl-4-nitrophenyl)-oxomethyl]-1-piperazinyl]acetic acid methyl ester IUPAC Name: methyl 2-(2-chlorophenyl)-2-[4-(3-methyl-4-nitrobenzoyl)piperazin-1-yl]acetate Traditional Name: 2-(2-chlorophenyl)-2-[4-(3-methyl-4-nitro-benzoyl)piperazino]acetic acid methyl ester Formula: C21H22ClN3O5 MolecularWeight: 431.86948

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)N2CCN(CC2)C(C3=CC=CC=C3Cl)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)N2CCN(CC2)C(C3=CC=CC=C3Cl)C(=O)OC)[N+](=O)[O-]

InChI

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