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

Systemtic Name: O1-methyl O3-[2-(2-methylpropylamino)-2-oxidanylidene-ethyl] 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O3-[2-(isobutylamino)-2-oxo-ethyl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O1-methyl ester O3-[2-(2-methylpropylamino)-2-oxoethyl] ester IUPAC Name: 1-O-methyl 3-O-[2-(2-methylpropylamino)-2-oxoethyl] 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[2-(isobutylamino)-2-keto-ethyl] ester O1-methyl ester Formula: C15H18N2O7 MolecularWeight: 338.31262

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18N2O7/c1-9(2)7-16-13(18)8-24-15(20)11-4-10(14(19)23-3)5-12(6-11)17(21)22/h4-6,9H,7-8H2,1-3H3,(H,16,18)