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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N2O7/c1-9(2)10(3)17-14(19)8-25-16(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)