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

Systemtic Name: O1-methyl O3-[2-oxidanylidene-2-(propan-2-ylcarbamoylamino)ethyl] 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O3-[2-(isopropylcarbamoylamino)-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-[[oxo-(propan-2-ylamino)methyl]amino]ethyl] ester IUPAC Name: 1-O-methyl 3-O-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[2-(isopropylcarbamoylamino)-2-keto-ethyl] ester O1-methyl ester Formula: C15H17N3O8 MolecularWeight: 367.31078

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17N3O8/c1-8(2)16-15(22)17-12(19)7-26-14(21)10-4-9(13(20)25-3)5-11(6-10)18(23)24/h4-6,8H,7H2,1-3H3,(H2,16,17,19,22)