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

Systemtic Name: O1-methyl O3-[2-oxidanylidene-2-(3-phenylpropylamino)ethyl] 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O1-methyl O3-[2-oxo-2-(3-phenylpropylamino)ethyl] 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O1-methyl ester O3-[2-oxo-2-(3-phenylpropylamino)ethyl] ester IUPAC Name: 1-O-methyl 3-O-[2-oxo-2-(3-phenylpropylamino)ethyl] 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[2-keto-2-(3-phenylpropylamino)ethyl] ester O1-methyl ester Formula: C20H20N2O7 MolecularWeight: 400.382

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OCC(=O)NCCCC2=CC=CC=C2

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OCC(=O)NCCCC2=CC=CC=C2

InChI

InChI=1S/C20H20N2O7/c1-28-19(24)15-10-16(12-17(11-15)22(26)27)20(25)29-13-18(23)21-9-5-8-14-6-3-2-4-7-14/h2-4,6-7,10-12H,5,8-9,13H2,1H3,(H,21,23)