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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N2O7/c1-5-16(2,3)17-13(19)9-25-15(21)11-6-10(14(20)24-4)7-12(8-11)18(22)23/h6-8H,5,9H2,1-4H3,(H,17,19)