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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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