methyl 2-(4-chlorophenyl)-2-[4-[(2-nitrophenyl)methyl]piperazin-1-yl]ethanoate

Systemtic Name: methyl 2-(4-chlorophenyl)-2-[4-[(2-nitrophenyl)methyl]piperazin-1-yl]ethanoate Openeye Name: methyl 2-(4-chlorophenyl)-2-[4-[(2-nitrophenyl)methyl]piperazin-1-yl]acetate CAS Name: 2-(4-chlorophenyl)-2-[4-[(2-nitrophenyl)methyl]-1-piperazinyl]acetic acid methyl ester IUPAC Name: methyl 2-(4-chlorophenyl)-2-[4-[(2-nitrophenyl)methyl]piperazin-1-yl]acetate Traditional Name: 2-(4-chlorophenyl)-2-[4-(2-nitrobenzyl)piperazino]acetic acid methyl ester Formula: C20H22ClN3O4 MolecularWeight: 403.85938

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22ClN3O4/c1-28-20(25)19(15-6-8-17(21)9-7-15)23-12-10-22(11-13-23)14-16-4-2-3-5-18(16)24(26)27/h2-9,19H,10-14H2,1H3