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

Systemtic Name: O1-methyl O3-[2-oxidanylidene-2-(propan-2-ylamino)ethyl] 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O3-[2-(isopropylamino)-2-oxo-ethyl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O1-methyl ester O3-[2-oxo-2-(propan-2-ylamino)ethyl] ester IUPAC Name: 1-O-methyl 3-O-[2-oxo-2-(propan-2-ylamino)ethyl] 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[2-(isopropylamino)-2-keto-ethyl] ester O1-methyl ester Formula: C14H16N2O7 MolecularWeight: 324.28604

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16N2O7/c1-8(2)15-12(17)7-23-14(19)10-4-9(13(18)22-3)5-11(6-10)16(20)21/h4-6,8H,7H2,1-3H3,(H,15,17)