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

Systemtic Name: O3-[1-(cyclohexylcarbamoylamino)-1-oxidanylidene-propan-2-yl] O1-ethyl 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O3-[2-(cyclohexylcarbamoylamino)-1-methyl-2-oxo-ethyl] O1-ethyl 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[1-[[(cyclohexylamino)-oxomethyl]amino]-1-oxopropan-2-yl] ester O1-ethyl ester IUPAC Name: 3-O-[1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 1-O-ethyl 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[2-(cyclohexylcarbamoylamino)-2-keto-1-methyl-ethyl] ester O1-ethyl ester Formula: C20H25N3O8 MolecularWeight: 435.4278

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OC(C)C(=O)NC(=O)NC2CCCCC2

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OC(C)C(=O)NC(=O)NC2CCCCC2

InChI

InChI=1S/C20H25N3O8/c1-3-30-18(25)13-9-14(11-16(10-13)23(28)29)19(26)31-12(2)17(24)22-20(27)21-15-7-5-4-6-8-15/h9-12,15H,3-8H2,1-2H3,(H2,21,22,24,27)