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

Systemtic Name: O3-[1-[(1-cyanocyclohexyl)amino]-1-oxidanylidene-propan-2-yl] O1-ethyl 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O3-[2-[(1-cyanocyclohexyl)amino]-1-methyl-2-oxo-ethyl] O1-ethyl 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] ester O1-ethyl ester IUPAC Name: 3-O-[1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] 1-O-ethyl 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[2-[(1-cyanocyclohexyl)amino]-2-keto-1-methyl-ethyl] ester O1-ethyl ester Formula: C20H23N3O7 MolecularWeight: 417.41252

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OC(C)C(=O)NC2(CCCCC2)C#N

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OC(C)C(=O)NC2(CCCCC2)C#N

InChI

InChI=1S/C20H23N3O7/c1-3-29-18(25)14-9-15(11-16(10-14)23(27)28)19(26)30-13(2)17(24)22-20(12-21)7-5-4-6-8-20/h9-11,13H,3-8H2,1-2H3,(H,22,24)