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

Systemtic Name: O3-[2-[(4-butoxycarbonylphenyl)amino]-2-oxidanylidene-ethyl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O3-[2-(4-butoxycarbonylanilino)-2-oxo-ethyl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[2-[4-[butoxy(oxo)methyl]anilino]-2-oxoethyl] ester O1-methyl ester IUPAC Name: 3-O-[2-(4-butoxycarbonylanilino)-2-oxoethyl] 1-O-methyl 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[2-(4-butoxycarbonylanilino)-2-keto-ethyl] ester O1-methyl ester Formula: C22H22N2O9 MolecularWeight: 458.41808

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N2O9/c1-3-4-9-32-21(27)14-5-7-17(8-6-14)23-19(25)13-33-22(28)16-10-15(20(26)31-2)11-18(12-16)24(29)30/h5-8,10-12H,3-4,9,13H2,1-2H3,(H,23,25)