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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19N3O8/c1-4-26-14(21)10-5-11(7-12(6-10)19(24)25)15(22)27-8-13(20)18-16(23)17-9(2)3/h5-7,9H,4,8H2,1-3H3,(H2,17,18,20,23)