2-[[3-(chloromethyl)-1,2-oxazol-5-yl]methyl]-4-nitro-benzamide

Systemtic Name: 2-[[3-(chloromethyl)-1,2-oxazol-5-yl]methyl]-4-nitro-benzamide Openeye Name: 2-[[3-(chloromethyl)isoxazol-5-yl]methyl]-4-nitro-benzamide CAS Name: 2-[[3-(chloromethyl)-5-isoxazolyl]methyl]-4-nitrobenzamide IUPAC Name: 2-[[3-(chloromethyl)-1,2-oxazol-5-yl]methyl]-4-nitrobenzamide Traditional Name: 2-[[3-(chloromethyl)isoxazol-5-yl]methyl]-4-nitro-benzamide Formula: C12H10ClN3O4 MolecularWeight: 295.6785

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1[N+](=O)[O-])CC2=CC(=NO2)CCl)C(=O)N

Isomeric SMILES

C1=CC(=C(C=C1[N+](=O)[O-])CC2=CC(=NO2)CCl)C(=O)N

InChI

InChI=1S/C12H10ClN3O4/c13-6-8-5-10(20-15-8)4-7-3-9(16(18)19)1-2-11(7)12(14)17/h1-3,5H,4,6H2,(H2,14,17)