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

Systemtic Name: O3-[2-(butylamino)-2-oxidanylidene-ethyl] O1-ethyl 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O3-[2-(butylamino)-2-oxo-ethyl] O1-ethyl 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[2-(butylamino)-2-oxoethyl] ester O1-ethyl ester IUPAC Name: 3-O-[2-(butylamino)-2-oxoethyl] 1-O-ethyl 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[2-(butylamino)-2-keto-ethyl] ester O1-ethyl ester Formula: C16H20N2O7 MolecularWeight: 352.3392

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)COC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OCC

Isomeric SMILES

CCCCNC(=O)COC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OCC

InChI

InChI=1S/C16H20N2O7/c1-3-5-6-17-14(19)10-25-16(21)12-7-11(15(20)24-4-2)8-13(9-12)18(22)23/h7-9H,3-6,10H2,1-2H3,(H,17,19)