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

Systemtic Name: O3-[2-[(4-ethoxycarbonylphenyl)amino]-2-oxidanylidene-ethyl] O1-ethyl 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O3-[2-(4-ethoxycarbonylanilino)-2-oxo-ethyl] O1-ethyl 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[2-(4-ethoxycarbonylanilino)-2-oxoethyl] ester O1-ethyl ester IUPAC Name: 3-O-[2-(4-ethoxycarbonylanilino)-2-oxoethyl] 1-O-ethyl 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[2-(4-carbethoxyanilino)-2-keto-ethyl] ester O1-ethyl ester Formula: C21H20N2O9 MolecularWeight: 444.3915

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N2O9/c1-3-30-19(25)13-5-7-16(8-6-13)22-18(24)12-32-21(27)15-9-14(20(26)31-4-2)10-17(11-15)23(28)29/h5-11H,3-4,12H2,1-2H3,(H,22,24)