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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N2O7/c1-9(2)8-17-14(19)10(3)25-16(21)12-5-11(15(20)24-4)6-13(7-12)18(22)23/h5-7,9-10H,8H2,1-4H3,(H,17,19)