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

Systemtic Name: O3-[2-[cyclohexyl(phenyl)amino]-2-oxidanylidene-ethyl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O3-[2-(N-cyclohexylanilino)-2-oxo-ethyl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[2-(N-cyclohexylanilino)-2-oxoethyl] ester O1-methyl ester IUPAC Name: 3-O-[2-(N-cyclohexylanilino)-2-oxoethyl] 1-O-methyl 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[2-(N-cyclohexylanilino)-2-keto-ethyl] ester O1-methyl ester Formula: C23H24N2O7 MolecularWeight: 440.44586

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OCC(=O)N(C2CCCCC2)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OCC(=O)N(C2CCCCC2)C3=CC=CC=C3

InChI

InChI=1S/C23H24N2O7/c1-31-22(27)16-12-17(14-20(13-16)25(29)30)23(28)32-15-21(26)24(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2,4-5,8-9,12-14,19H,3,6-7,10-11,15H2,1H3