3-methyl-N-[2-(4-nitrophenyl)-2-oxidanyl-ethyl]-5-propan-2-yl-1,2-oxazole-4-carboxamide

Systemtic Name: 3-methyl-N-[2-(4-nitrophenyl)-2-oxidanyl-ethyl]-5-propan-2-yl-1,2-oxazole-4-carboxamide Openeye Name: N-[2-hydroxy-2-(4-nitrophenyl)ethyl]-5-isopropyl-3-methyl-isoxazole-4-carboxamide CAS Name: N-[2-hydroxy-2-(4-nitrophenyl)ethyl]-3-methyl-5-propan-2-yl-4-isoxazolecarboxamide IUPAC Name: N-[2-hydroxy-2-(4-nitrophenyl)ethyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide Traditional Name: N-[2-hydroxy-2-(4-nitrophenyl)ethyl]-5-isopropyl-3-methyl-isoxazole-4-carboxamide Formula: C16H19N3O5 MolecularWeight: 333.33916

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=C1C(=O)NCC(C2=CC=C(C=C2)[N+](=O)[O-])O)C(C)C

Isomeric SMILES

CC1=NOC(=C1C(=O)NCC(C2=CC=C(C=C2)[N+](=O)[O-])O)C(C)C

InChI

InChI=1S/C16H19N3O5/c1-9(2)15-14(10(3)18-24-15)16(21)17-8-13(20)11-4-6-12(7-5-11)19(22)23/h4-7,9,13,20H,8H2,1-3H3,(H,17,21)