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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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