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

Systemtic Name: ethyl 2-(4-chlorophenyl)-2-[4-(2-methyl-3-nitro-phenyl)carbonylpiperazin-1-yl]ethanoate Openeye Name: ethyl 2-(4-chlorophenyl)-2-[4-(2-methyl-3-nitro-benzoyl)piperazin-1-yl]acetate CAS Name: 2-(4-chlorophenyl)-2-[4-[(2-methyl-3-nitrophenyl)-oxomethyl]-1-piperazinyl]acetic acid ethyl ester IUPAC Name: ethyl 2-(4-chlorophenyl)-2-[4-(2-methyl-3-nitrobenzoyl)piperazin-1-yl]acetate Traditional Name: 2-(4-chlorophenyl)-2-[4-(2-methyl-3-nitro-benzoyl)piperazino]acetic acid ethyl ester Formula: C22H24ClN3O5 MolecularWeight: 445.89606

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24ClN3O5/c1-3-31-22(28)20(16-7-9-17(23)10-8-16)24-11-13-25(14-12-24)21(27)18-5-4-6-19(15(18)2)26(29)30/h4-10,20H,3,11-14H2,1-2H3