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

Systemtic Name: O1-ethyl O3-[2-(2-methylpropylcarbamoylamino)-2-oxidanylidene-ethyl] 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O1-ethyl O3-[2-(isobutylcarbamoylamino)-2-oxo-ethyl] 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O1-ethyl ester O3-[2-[[(2-methylpropylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: 1-O-ethyl 3-O-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O1-ethyl ester O3-[2-(isobutylcarbamoylamino)-2-keto-ethyl] ester Formula: C17H21N3O8 MolecularWeight: 395.36394

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N3O8/c1-4-27-15(22)11-5-12(7-13(6-11)20(25)26)16(23)28-9-14(21)19-17(24)18-8-10(2)3/h5-7,10H,4,8-9H2,1-3H3,(H2,18,19,21,24)