O1-methyl O3-[2-oxidanylidene-2-[(4-propan-2-ylphenyl)amino]ethyl] 5-nitrobenzene-1,3-dicarboxylate

Systemtic Name: O1-methyl O3-[2-oxidanylidene-2-[(4-propan-2-ylphenyl)amino]ethyl] 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O3-[2-(4-isopropylanilino)-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-(4-propan-2-ylanilino)ethyl] ester IUPAC Name: 1-O-methyl 3-O-[2-oxo-2-(4-propan-2-ylanilino)ethyl] 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-(2-cumidino-2-keto-ethyl) ester O1-methyl ester Formula: C20H20N2O7 MolecularWeight: 400.382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N2O7/c1-12(2)13-4-6-16(7-5-13)21-18(23)11-29-20(25)15-8-14(19(24)28-3)9-17(10-15)22(26)27/h4-10,12H,11H2,1-3H3,(H,21,23)