O1-methyl O3-[2-oxidanylidene-2-[4-(propanoylamino)phenyl]ethyl] 5-nitrobenzene-1,3-dicarboxylate

Systemtic Name: O1-methyl O3-[2-oxidanylidene-2-[4-(propanoylamino)phenyl]ethyl] 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O1-methyl O3-[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O1-methyl ester O3-[2-oxo-2-[4-(1-oxopropylamino)phenyl]ethyl] ester IUPAC Name: 1-O-methyl 3-O-[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[2-keto-2-(4-propionamidophenyl)ethyl] ester O1-methyl ester Formula: C20H18N2O8 MolecularWeight: 414.36552

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC=C(C=C1)C(=O)COC(=O)C2=CC(=CC(=C2)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CCC(=O)NC1=CC=C(C=C1)C(=O)COC(=O)C2=CC(=CC(=C2)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C20H18N2O8/c1-3-18(24)21-15-6-4-12(5-7-15)17(23)11-30-20(26)14-8-13(19(25)29-2)9-16(10-14)22(27)28/h4-10H,3,11H2,1-2H3,(H,21,24)