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

Systemtic Name: methyl 2-[4-(2-chloranyl-4-nitro-phenyl)carbonylpiperazin-1-yl]-2-(4-chlorophenyl)ethanoate Openeye Name: methyl 2-[4-(2-chloro-4-nitro-benzoyl)piperazin-1-yl]-2-(4-chlorophenyl)acetate CAS Name: 2-[4-[(2-chloro-4-nitrophenyl)-oxomethyl]-1-piperazinyl]-2-(4-chlorophenyl)acetic acid methyl ester IUPAC Name: methyl 2-[4-(2-chloro-4-nitrobenzoyl)piperazin-1-yl]-2-(4-chlorophenyl)acetate Traditional Name: 2-[4-(2-chloro-4-nitro-benzoyl)piperazino]-2-(4-chlorophenyl)acetic acid methyl ester Formula: C20H19Cl2N3O5 MolecularWeight: 452.28796

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19Cl2N3O5/c1-30-20(27)18(13-2-4-14(21)5-3-13)23-8-10-24(11-9-23)19(26)16-7-6-15(25(28)29)12-17(16)22/h2-7,12,18H,8-11H2,1H3