methyl 2-[4-[1-(2-chlorophenyl)-2-methoxy-2-oxidanylidene-ethyl]piperazin-1-yl]-5-nitro-benzoate

Systemtic Name: methyl 2-[4-[1-(2-chlorophenyl)-2-methoxy-2-oxidanylidene-ethyl]piperazin-1-yl]-5-nitro-benzoate Openeye Name: methyl 2-[4-[1-(2-chlorophenyl)-2-methoxy-2-oxo-ethyl]piperazin-1-yl]-5-nitro-benzoate CAS Name: 2-[4-[1-(2-chlorophenyl)-2-methoxy-2-oxoethyl]-1-piperazinyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 2-[4-[1-(2-chlorophenyl)-2-methoxy-2-oxoethyl]piperazin-1-yl]-5-nitrobenzoate Traditional Name: 2-[4-[1-(2-chlorophenyl)-2-keto-2-methoxy-ethyl]piperazino]-5-nitro-benzoic acid methyl ester Formula: C21H22ClN3O6 MolecularWeight: 447.86888

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])N2CCN(CC2)C(C3=CC=CC=C3Cl)C(=O)OC

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])N2CCN(CC2)C(C3=CC=CC=C3Cl)C(=O)OC

InChI

InChI=1S/C21H22ClN3O6/c1-30-20(26)16-13-14(25(28)29)7-8-18(16)23-9-11-24(12-10-23)19(21(27)31-2)15-5-3-4-6-17(15)22/h3-8,13,19H,9-12H2,1-2H3