methyl 3-[[1-(2-chlorophenyl)-2-oxidanylidene-cyclohexyl]-methyl-carbamoyl]-5-nitro-benzoate

Systemtic Name: methyl 3-[[1-(2-chlorophenyl)-2-oxidanylidene-cyclohexyl]-methyl-carbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[[1-(2-chlorophenyl)-2-oxo-cyclohexyl]-methyl-carbamoyl]-5-nitro-benzoate CAS Name: 3-[[[1-(2-chlorophenyl)-2-oxocyclohexyl]-methylamino]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[[1-(2-chlorophenyl)-2-oxocyclohexyl]-methylcarbamoyl]-5-nitrobenzoate Traditional Name: 3-[[1-(2-chlorophenyl)-2-keto-cyclohexyl]-methyl-carbamoyl]-5-nitro-benzoic acid methyl ester Formula: C22H21ClN2O6 MolecularWeight: 444.86494

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21ClN2O6/c1-24(20(27)14-11-15(21(28)31-2)13-16(12-14)25(29)30)22(10-6-5-9-19(22)26)17-7-3-4-8-18(17)23/h3-4,7-8,11-13H,5-6,9-10H2,1-2H3