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

Systemtic Name: O3-[2-[cyanomethyl(phenyl)amino]-2-oxidanylidene-ethyl] O1-ethyl 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O3-[2-[N-(cyanomethyl)anilino]-2-oxo-ethyl] O1-ethyl 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[2-[N-(cyanomethyl)anilino]-2-oxoethyl] ester O1-ethyl ester IUPAC Name: 3-O-[2-[N-(cyanomethyl)anilino]-2-oxoethyl] 1-O-ethyl 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[2-[N-(cyanomethyl)anilino]-2-keto-ethyl] ester O1-ethyl ester Formula: C20H17N3O7 MolecularWeight: 411.36488

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)OCC(=O)N(CC#N)C2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)OCC(=O)N(CC#N)C2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C20H17N3O7/c1-2-29-19(25)14-10-15(12-17(11-14)23(27)28)20(26)30-13-18(24)22(9-8-21)16-6-4-3-5-7-16/h3-7,10-12H,2,9,13H2,1H3