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

Systemtic Name: O1-ethyl O3-[2-(ethylcarbamoylamino)-2-oxidanylidene-ethyl] 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O1-ethyl O3-[2-(ethylcarbamoylamino)-2-oxo-ethyl] 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O1-ethyl ester O3-[2-(ethylcarbamoylamino)-2-oxoethyl] ester IUPAC Name: 1-O-ethyl 3-O-[2-(ethylcarbamoylamino)-2-oxoethyl] 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O1-ethyl ester O3-[2-(ethylcarbamoylamino)-2-keto-ethyl] ester Formula: C15H17N3O8 MolecularWeight: 367.31078

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17N3O8/c1-3-16-15(22)17-12(19)8-26-14(21)10-5-9(13(20)25-4-2)6-11(7-10)18(23)24/h5-7H,3-4,8H2,1-2H3,(H2,16,17,19,22)