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

Systemtic Name: 2-[[(2-chloranyl-4-nitro-phenyl)carbonyl-propan-2-yl-amino]methyl]-N-propan-2-yl-1,3-oxazole-4-carboxamide Openeye Name: 2-[[(2-chloro-4-nitro-benzoyl)-isopropyl-amino]methyl]-N-isopropyl-oxazole-4-carboxamide CAS Name: 2-[[[(2-chloro-4-nitrophenyl)-oxomethyl]-propan-2-ylamino]methyl]-N-propan-2-yl-4-oxazolecarboxamide IUPAC Name: 2-[[(2-chloro-4-nitrobenzoyl)-propan-2-ylamino]methyl]-N-propan-2-yl-1,3-oxazole-4-carboxamide Traditional Name: 2-[[(2-chloro-4-nitro-benzoyl)-isopropyl-amino]methyl]-N-isopropyl-oxazole-4-carboxamide Formula: C18H21ClN4O5 MolecularWeight: 408.83614

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21ClN4O5/c1-10(2)20-17(24)15-9-28-16(21-15)8-22(11(3)4)18(25)13-6-5-12(23(26)27)7-14(13)19/h5-7,9-11H,8H2,1-4H3,(H,20,24)