O3-[2-[(2-ethyl-6-methyl-phenyl)amino]-2-oxidanylidene-ethyl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate

Systemtic Name: O3-[2-[(2-ethyl-6-methyl-phenyl)amino]-2-oxidanylidene-ethyl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O3-[2-(2-ethyl-6-methyl-anilino)-2-oxo-ethyl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[2-(2-ethyl-6-methylanilino)-2-oxoethyl] ester O1-methyl ester IUPAC Name: 3-O-[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 1-O-methyl 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[2-(2-ethyl-6-methyl-anilino)-2-keto-ethyl] ester O1-methyl ester Formula: C20H20N2O7 MolecularWeight: 400.382

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)COC(=O)C2=CC(=CC(=C2)C(=O)OC)[N+](=O)[O-])C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)COC(=O)C2=CC(=CC(=C2)C(=O)OC)[N+](=O)[O-])C

InChI

InChI=1S/C20H20N2O7/c1-4-13-7-5-6-12(2)18(13)21-17(23)11-29-20(25)15-8-14(19(24)28-3)9-16(10-15)22(26)27/h5-10H,4,11H2,1-3H3,(H,21,23)