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

Systemtic Name: O3-[2-[cyanomethyl(phenyl)amino]-2-oxidanylidene-ethyl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O3-[2-[N-(cyanomethyl)anilino]-2-oxo-ethyl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[2-[N-(cyanomethyl)anilino]-2-oxoethyl] ester O1-methyl ester IUPAC Name: 3-O-[2-[N-(cyanomethyl)anilino]-2-oxoethyl] 1-O-methyl 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[2-[N-(cyanomethyl)anilino]-2-keto-ethyl] ester O1-methyl ester Formula: C19H15N3O7 MolecularWeight: 397.3383

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H15N3O7/c1-28-18(24)13-9-14(11-16(10-13)22(26)27)19(25)29-12-17(23)21(8-7-20)15-5-3-2-4-6-15/h2-6,9-11H,8,12H2,1H3