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

Systemtic Name: O1-ethyl O3-[1-(ethylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O1-ethyl O3-[2-(ethylcarbamoylamino)-1-methyl-2-oxo-ethyl] 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O1-ethyl ester O3-[1-(ethylcarbamoylamino)-1-oxopropan-2-yl] ester IUPAC Name: 1-O-ethyl 3-O-[1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O1-ethyl ester O3-[2-(ethylcarbamoylamino)-2-keto-1-methyl-ethyl] ester Formula: C16H19N3O8 MolecularWeight: 381.33736

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19N3O8/c1-4-17-16(23)18-13(20)9(3)27-15(22)11-6-10(14(21)26-5-2)7-12(8-11)19(24)25/h6-9H,4-5H2,1-3H3,(H2,17,18,20,23)