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

Systemtic Name: O1-methyl O3-[2-[4-(3-methylbutanoylamino)phenyl]-2-oxidanylidene-ethyl] 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O1-methyl O3-[2-[4-(3-methylbutanoylamino)phenyl]-2-oxo-ethyl] 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O1-methyl ester O3-[2-[4-[(3-methyl-1-oxobutyl)amino]phenyl]-2-oxoethyl] ester IUPAC Name: 1-O-methyl 3-O-[2-[4-(3-methylbutanoylamino)phenyl]-2-oxoethyl] 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[2-[4-(isovalerylamino)phenyl]-2-keto-ethyl] ester O1-methyl ester Formula: C22H22N2O8 MolecularWeight: 442.41868

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=CC=C(C=C1)C(=O)COC(=O)C2=CC(=CC(=C2)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC(C)CC(=O)NC1=CC=C(C=C1)C(=O)COC(=O)C2=CC(=CC(=C2)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C22H22N2O8/c1-13(2)8-20(26)23-17-6-4-14(5-7-17)19(25)12-32-22(28)16-9-15(21(27)31-3)10-18(11-16)24(29)30/h4-7,9-11,13H,8,12H2,1-3H3,(H,23,26)