[2-[[1-(2-chlorophenyl)-2-oxidanylidene-cyclohexyl]-methyl-amino]-2-oxidanylidene-ethyl] 3-nitrobenzoate

Systemtic Name: [2-[[1-(2-chlorophenyl)-2-oxidanylidene-cyclohexyl]-methyl-amino]-2-oxidanylidene-ethyl] 3-nitrobenzoate Openeye Name: [2-[[1-(2-chlorophenyl)-2-oxo-cyclohexyl]-methyl-amino]-2-oxo-ethyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [2-[[1-(2-chlorophenyl)-2-oxocyclohexyl]-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[[1-(2-chlorophenyl)-2-oxocyclohexyl]-methylamino]-2-oxoethyl] 3-nitrobenzoate Traditional Name: 3-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)15-7-6-8-16(13-15)25(29)30)22(12-5-4-11-19(22)26)17-9-2-3-10-18(17)23/h2-3,6-10,13H,4-5,11-12,14H2,1H3