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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1(CCCCC1)C#N)OC(=O)C2=CC(=CC(=C2)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)NC1(CCCCC1)C#N)OC(=O)C2=CC(=CC(=C2)C(=O)OC)[N+](=O)[O-]

InChI

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