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

Systemtic Name: 2-[[(4-chloranyl-3-nitro-phenyl)carbonyl-propan-2-yl-amino]methyl]-N-propan-2-yl-1,3-oxazole-4-carboxamide Openeye Name: 2-[[(4-chloro-3-nitro-benzoyl)-isopropyl-amino]methyl]-N-isopropyl-oxazole-4-carboxamide CAS Name: 2-[[[(4-chloro-3-nitrophenyl)-oxomethyl]-propan-2-ylamino]methyl]-N-propan-2-yl-4-oxazolecarboxamide IUPAC Name: 2-[[(4-chloro-3-nitrobenzoyl)-propan-2-ylamino]methyl]-N-propan-2-yl-1,3-oxazole-4-carboxamide Traditional Name: 2-[[(4-chloro-3-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=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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