[2-[[1-(2-chlorophenyl)-2-oxidanylidene-cyclohexyl]-methyl-amino]-2-oxidanylidene-ethyl] 2-nitrobenzoate

Systemtic Name: [2-[[1-(2-chlorophenyl)-2-oxidanylidene-cyclohexyl]-methyl-amino]-2-oxidanylidene-ethyl] 2-nitrobenzoate Openeye Name: [2-[[1-(2-chlorophenyl)-2-oxo-cyclohexyl]-methyl-amino]-2-oxo-ethyl] 2-nitrobenzoate CAS Name: 2-nitrobenzoic acid [2-[[1-(2-chlorophenyl)-2-oxocyclohexyl]-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[[1-(2-chlorophenyl)-2-oxocyclohexyl]-methylamino]-2-oxoethyl] 2-nitrobenzoate Traditional Name: 2-nitrobenzoic acid [2-[[1-(2-chlorophenyl)-2-keto-cyclohexyl]-methyl-amino]-2-keto-ethyl] ester Formula: C22H21ClN2O6 MolecularWeight: 444.86494

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(=O)COC(=O)C1=CC=CC=C1[N+](=O)[O-])C2(CCCCC2=O)C3=CC=CC=C3Cl

Isomeric SMILES

CN(C(=O)COC(=O)C1=CC=CC=C1[N+](=O)[O-])C2(CCCCC2=O)C3=CC=CC=C3Cl

InChI

InChI=1S/C22H21ClN2O6/c1-24(20(27)14-31-21(28)15-8-2-5-11-18(15)25(29)30)22(13-7-6-12-19(22)26)16-9-3-4-10-17(16)23/h2-5,8-11H,6-7,12-14H2,1H3