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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19N3O8/c1-9(2)7-17-16(23)18-13(20)8-27-15(22)11-4-10(14(21)26-3)5-12(6-11)19(24)25/h4-6,9H,7-8H2,1-3H3,(H2,17,18,20,23)