2-[[(3,5-dinitrophenyl)carbonyl-ethyl-amino]methyl]-N-ethyl-1,3-oxazole-4-carboxamide

Systemtic Name: 2-[[(3,5-dinitrophenyl)carbonyl-ethyl-amino]methyl]-N-ethyl-1,3-oxazole-4-carboxamide Openeye Name: 2-[[(3,5-dinitrobenzoyl)-ethyl-amino]methyl]-N-ethyl-oxazole-4-carboxamide CAS Name: 2-[[[(3,5-dinitrophenyl)-oxomethyl]-ethylamino]methyl]-N-ethyl-4-oxazolecarboxamide IUPAC Name: 2-[[(3,5-dinitrobenzoyl)-ethylamino]methyl]-N-ethyl-1,3-oxazole-4-carboxamide Traditional Name: 2-[[(3,5-dinitrobenzoyl)-ethyl-amino]methyl]-N-ethyl-oxazole-4-carboxamide Formula: C16H17N5O7 MolecularWeight: 391.33548

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C1=COC(=N1)CN(CC)C(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCNC(=O)C1=COC(=N1)CN(CC)C(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H17N5O7/c1-3-17-15(22)13-9-28-14(18-13)8-19(4-2)16(23)10-5-11(20(24)25)7-12(6-10)21(26)27/h5-7,9H,3-4,8H2,1-2H3,(H,17,22)