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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)OCC(=O)NC2(CCCC2)C#N)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)OCC(=O)NC2(CCCC2)C#N)[N+](=O)[O-]

InChI

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