2-[[(4-chloranyl-3-nitro-phenyl)carbonyl-ethyl-amino]methyl]-N-ethyl-1,3-oxazole-4-carboxamide

Systemtic Name: 2-[[(4-chloranyl-3-nitro-phenyl)carbonyl-ethyl-amino]methyl]-N-ethyl-1,3-oxazole-4-carboxamide Openeye Name: 2-[[(4-chloro-3-nitro-benzoyl)-ethyl-amino]methyl]-N-ethyl-oxazole-4-carboxamide CAS Name: 2-[[[(4-chloro-3-nitrophenyl)-oxomethyl]-ethylamino]methyl]-N-ethyl-4-oxazolecarboxamide IUPAC Name: 2-[[(4-chloro-3-nitrobenzoyl)-ethylamino]methyl]-N-ethyl-1,3-oxazole-4-carboxamide Traditional Name: 2-[[(4-chloro-3-nitro-benzoyl)-ethyl-amino]methyl]-N-ethyl-oxazole-4-carboxamide Formula: C16H17ClN4O5 MolecularWeight: 380.78298

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17ClN4O5/c1-3-18-15(22)12-9-26-14(19-12)8-20(4-2)16(23)10-5-6-11(17)13(7-10)21(24)25/h5-7,9H,3-4,8H2,1-2H3,(H,18,22)