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

Systemtic Name: methyl 2-(4-chlorophenyl)-2-[4-(2-cyano-4-nitro-phenyl)piperazin-1-yl]ethanoate Openeye Name: methyl 2-(4-chlorophenyl)-2-[4-(2-cyano-4-nitro-phenyl)piperazin-1-yl]acetate CAS Name: 2-(4-chlorophenyl)-2-[4-(2-cyano-4-nitrophenyl)-1-piperazinyl]acetic acid methyl ester IUPAC Name: methyl 2-(4-chlorophenyl)-2-[4-(2-cyano-4-nitrophenyl)piperazin-1-yl]acetate Traditional Name: 2-(4-chlorophenyl)-2-[4-(2-cyano-4-nitro-phenyl)piperazino]acetic acid methyl ester Formula: C20H19ClN4O4 MolecularWeight: 414.84226

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19ClN4O4/c1-29-20(26)19(14-2-4-16(21)5-3-14)24-10-8-23(9-11-24)18-7-6-17(25(27)28)12-15(18)13-22/h2-7,12,19H,8-11H2,1H3