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

Systemtic Name: O3-[2-(2,4-dimethylphenyl)-2-oxidanylidene-ethyl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O3-[2-(2,4-dimethylphenyl)-2-oxo-ethyl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[2-(2,4-dimethylphenyl)-2-oxoethyl] ester O1-methyl ester IUPAC Name: 3-O-[2-(2,4-dimethylphenyl)-2-oxoethyl] 1-O-methyl 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[2-(2,4-dimethylphenyl)-2-keto-ethyl] ester O1-methyl ester Formula: C19H17NO7 MolecularWeight: 371.34078

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)COC(=O)C2=CC(=CC(=C2)C(=O)OC)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)COC(=O)C2=CC(=CC(=C2)C(=O)OC)[N+](=O)[O-])C

InChI

InChI=1S/C19H17NO7/c1-11-4-5-16(12(2)6-11)17(21)10-27-19(23)14-7-13(18(22)26-3)8-15(9-14)20(24)25/h4-9H,10H2,1-3H3