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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N2O7/c1-4-6-17-14(19)10(3)25-16(21)12-7-11(15(20)24-5-2)8-13(9-12)18(22)23/h7-10H,4-6H2,1-3H3,(H,17,19)