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

Systemtic Name: methyl 2-(4-chlorophenyl)-2-[4-[(4-methoxy-2-nitro-phenyl)carbamoyl]piperazin-1-yl]ethanoate Openeye Name: methyl 2-(4-chlorophenyl)-2-[4-[(4-methoxy-2-nitro-phenyl)carbamoyl]piperazin-1-yl]acetate CAS Name: 2-(4-chlorophenyl)-2-[4-[(4-methoxy-2-nitroanilino)-oxomethyl]-1-piperazinyl]acetic acid methyl ester IUPAC Name: methyl 2-(4-chlorophenyl)-2-[4-[(4-methoxy-2-nitrophenyl)carbamoyl]piperazin-1-yl]acetate Traditional Name: 2-(4-chlorophenyl)-2-[4-[(4-methoxy-2-nitro-phenyl)carbamoyl]piperazino]acetic acid methyl ester Formula: C21H23ClN4O6 MolecularWeight: 462.88352

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NC(=O)N2CCN(CC2)C(C3=CC=C(C=C3)Cl)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1)NC(=O)N2CCN(CC2)C(C3=CC=C(C=C3)Cl)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C21H23ClN4O6/c1-31-16-7-8-17(18(13-16)26(29)30)23-21(28)25-11-9-24(10-12-25)19(20(27)32-2)14-3-5-15(22)6-4-14/h3-8,13,19H,9-12H2,1-2H3,(H,23,28)