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

Systemtic Name: O3-[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxidanylidene-ethyl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O3-[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxo-ethyl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[2-[1-cyclohexenyl(cyclopropyl)amino]-2-oxoethyl] ester O1-methyl ester IUPAC Name: 3-O-[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl] 1-O-methyl 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-keto-ethyl] ester O1-methyl ester Formula: C20H22N2O7 MolecularWeight: 402.39788

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OCC(=O)N(C2CC2)C3=CCCCC3

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OCC(=O)N(C2CC2)C3=CCCCC3

InChI

InChI=1S/C20H22N2O7/c1-28-19(24)13-9-14(11-17(10-13)22(26)27)20(25)29-12-18(23)21(16-7-8-16)15-5-3-2-4-6-15/h5,9-11,16H,2-4,6-8,12H2,1H3