O3-[2-(cyclohexylcarbamoylamino)-2-oxidanylidene-ethyl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate

Systemtic Name: O3-[2-(cyclohexylcarbamoylamino)-2-oxidanylidene-ethyl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O3-[2-(cyclohexylcarbamoylamino)-2-oxo-ethyl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[2-[[(cyclohexylamino)-oxomethyl]amino]-2-oxoethyl] ester O1-methyl ester IUPAC Name: 3-O-[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 1-O-methyl 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[2-(cyclohexylcarbamoylamino)-2-keto-ethyl] ester O1-methyl ester Formula: C18H21N3O8 MolecularWeight: 407.37464

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OCC(=O)NC(=O)NC2CCCCC2

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OCC(=O)NC(=O)NC2CCCCC2

InChI

InChI=1S/C18H21N3O8/c1-28-16(23)11-7-12(9-14(8-11)21(26)27)17(24)29-10-15(22)20-18(25)19-13-5-3-2-4-6-13/h7-9,13H,2-6,10H2,1H3,(H2,19,20,22,25)