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

Systemtic Name: O3-[2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O3-[2-[(1-cyanocyclohexyl)amino]-2-oxo-ethyl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] ester O1-methyl ester IUPAC Name: 3-O-[2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 1-O-methyl 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[2-[(1-cyanocyclohexyl)amino]-2-keto-ethyl] ester O1-methyl ester Formula: C18H19N3O7 MolecularWeight: 389.35936

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OCC(=O)NC2(CCCCC2)C#N

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OCC(=O)NC2(CCCCC2)C#N

InChI

InChI=1S/C18H19N3O7/c1-27-16(23)12-7-13(9-14(8-12)21(25)26)17(24)28-10-15(22)20-18(11-19)5-3-2-4-6-18/h7-9H,2-6,10H2,1H3,(H,20,22)