diethyl 2-[(3,5-dinitrophenyl)carbonylamino]pentanedioate

Systemtic Name: diethyl 2-[(3,5-dinitrophenyl)carbonylamino]pentanedioate Openeye Name: diethyl 2-[(3,5-dinitrobenzoyl)amino]pentanedioate CAS Name: 2-[[(3,5-dinitrophenyl)-oxomethyl]amino]pentanedioic acid diethyl ester IUPAC Name: diethyl 2-[(3,5-dinitrobenzoyl)amino]pentanedioate Traditional Name: 2-[(3,5-dinitrobenzoyl)amino]glutaric acid diethyl ester Formula: C16H19N3O9 MolecularWeight: 397.33676

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19N3O9/c1-3-27-14(20)6-5-13(16(22)28-4-2)17-15(21)10-7-11(18(23)24)9-12(8-10)19(25)26/h7-9,13H,3-6H2,1-2H3,(H,17,21)