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

Systemtic Name: O1-methyl O3-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl] 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O3-[2-(benzylamino)-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-[(phenylmethyl)amino]ethyl] ester IUPAC Name: 3-O-[2-(benzylamino)-2-oxoethyl] 1-O-methyl 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[2-(benzylamino)-2-keto-ethyl] ester O1-methyl ester Formula: C18H16N2O7 MolecularWeight: 372.32884

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OCC(=O)NCC2=CC=CC=C2

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OCC(=O)NCC2=CC=CC=C2

InChI

InChI=1S/C18H16N2O7/c1-26-17(22)13-7-14(9-15(8-13)20(24)25)18(23)27-11-16(21)19-10-12-5-3-2-4-6-12/h2-9H,10-11H2,1H3,(H,19,21)