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

Systemtic Name: O1-ethyl O3-[2-[4-(3-methylbutanoylamino)phenyl]-2-oxidanylidene-ethyl] 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O1-ethyl O3-[2-[4-(3-methylbutanoylamino)phenyl]-2-oxo-ethyl] 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O1-ethyl ester O3-[2-[4-[(3-methyl-1-oxobutyl)amino]phenyl]-2-oxoethyl] ester IUPAC Name: 1-O-ethyl 3-O-[2-[4-(3-methylbutanoylamino)phenyl]-2-oxoethyl] 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O1-ethyl ester O3-[2-[4-(isovalerylamino)phenyl]-2-keto-ethyl] ester Formula: C23H24N2O8 MolecularWeight: 456.44526

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)OCC(=O)C2=CC=C(C=C2)NC(=O)CC(C)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)OCC(=O)C2=CC=C(C=C2)NC(=O)CC(C)C)[N+](=O)[O-]

InChI

InChI=1S/C23H24N2O8/c1-4-32-22(28)16-10-17(12-19(11-16)25(30)31)23(29)33-13-20(26)15-5-7-18(8-6-15)24-21(27)9-14(2)3/h5-8,10-12,14H,4,9,13H2,1-3H3,(H,24,27)