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

Systemtic Name: O1-methyl O3-[2-oxidanylidene-2-[phenyl(prop-2-enyl)amino]ethyl] 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O3-[2-(N-allylanilino)-2-oxo-ethyl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O1-methyl ester O3-[2-oxo-2-(N-prop-2-enylanilino)ethyl] ester IUPAC Name: 1-O-methyl 3-O-[2-oxo-2-(N-prop-2-enylanilino)ethyl] 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[2-(N-allylanilino)-2-keto-ethyl] ester O1-methyl ester Formula: C20H18N2O7 MolecularWeight: 398.36612

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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=C)C2=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C20H18N2O7/c1-3-9-21(16-7-5-4-6-8-16)18(23)13-29-20(25)15-10-14(19(24)28-2)11-17(12-15)22(26)27/h3-8,10-12H,1,9,13H2,2H3