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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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