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

Systemtic Name: O3-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxidanylidene-ethyl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O3-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxo-ethyl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[2-[2-(1-cyclohexenyl)ethylamino]-2-oxoethyl] ester O1-methyl ester IUPAC Name: 3-O-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl] 1-O-methyl 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[2-[2-(cyclohexen-1-yl)ethylamino]-2-keto-ethyl] ester O1-methyl ester Formula: C19H22N2O7 MolecularWeight: 390.38718

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OCC(=O)NCCC2=CCCCC2

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OCC(=O)NCCC2=CCCCC2

InChI

InChI=1S/C19H22N2O7/c1-27-18(23)14-9-15(11-16(10-14)21(25)26)19(24)28-12-17(22)20-8-7-13-5-3-2-4-6-13/h5,9-11H,2-4,6-8,12H2,1H3,(H,20,22)