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

Systemtic Name: methyl 2-[4-[(4-aminocarbonyl-2-nitro-phenyl)methyl]piperazin-1-yl]-2-(4-chlorophenyl)ethanoate Openeye Name: methyl 2-[4-[(4-carbamoyl-2-nitro-phenyl)methyl]piperazin-1-yl]-2-(4-chlorophenyl)acetate CAS Name: 2-[4-[(4-carbamoyl-2-nitrophenyl)methyl]-1-piperazinyl]-2-(4-chlorophenyl)acetic acid methyl ester IUPAC Name: methyl 2-[4-[(4-carbamoyl-2-nitrophenyl)methyl]piperazin-1-yl]-2-(4-chlorophenyl)acetate Traditional Name: 2-[4-(4-carbamoyl-2-nitro-benzyl)piperazino]-2-(4-chlorophenyl)acetic acid methyl ester Formula: C21H23ClN4O5 MolecularWeight: 446.88412

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23ClN4O5/c1-31-21(28)19(14-4-6-17(22)7-5-14)25-10-8-24(9-11-25)13-16-3-2-15(20(23)27)12-18(16)26(29)30/h2-7,12,19H,8-11,13H2,1H3,(H2,23,27)