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

Systemtic Name: O3-[2-[(4-methoxycarbonylphenyl)methylamino]-2-oxidanylidene-ethyl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O3-[2-[(4-methoxycarbonylphenyl)methylamino]-2-oxo-ethyl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl] ester O1-methyl ester IUPAC Name: 3-O-[2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl] 1-O-methyl 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[2-[(4-carbomethoxybenzyl)amino]-2-keto-ethyl] ester O1-methyl ester Formula: C20H18N2O9 MolecularWeight: 430.36492

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18N2O9/c1-29-18(24)13-5-3-12(4-6-13)10-21-17(23)11-31-20(26)15-7-14(19(25)30-2)8-16(9-15)22(27)28/h3-9H,10-11H2,1-2H3,(H,21,23)