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

Systemtic Name: O3-[2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxidanylidene-ethyl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O3-[2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxo-ethyl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] ester O1-methyl ester IUPAC Name: 3-O-[2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] 1-O-methyl 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[2-[(1-cyanocyclohexyl)-methyl-amino]-2-keto-ethyl] ester O1-methyl ester Formula: C19H21N3O7 MolecularWeight: 403.38594

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(=O)COC(=O)C1=CC(=CC(=C1)C(=O)OC)[N+](=O)[O-])C2(CCCCC2)C#N

Isomeric SMILES

CN(C(=O)COC(=O)C1=CC(=CC(=C1)C(=O)OC)[N+](=O)[O-])C2(CCCCC2)C#N

InChI

InChI=1S/C19H21N3O7/c1-21(19(12-20)6-4-3-5-7-19)16(23)11-29-18(25)14-8-13(17(24)28-2)9-15(10-14)22(26)27/h8-10H,3-7,11H2,1-2H3