3-[2-(3-methyl-4-nitro-1,2-oxazol-5-yl)-1-phenyl-ethyl]pentane-2,4-dione

Systemtic Name: 3-[2-(3-methyl-4-nitro-1,2-oxazol-5-yl)-1-phenyl-ethyl]pentane-2,4-dione Openeye Name: 3-[2-(3-methyl-4-nitro-isoxazol-5-yl)-1-phenyl-ethyl]pentane-2,4-dione CAS Name: 3-[2-(3-methyl-4-nitro-5-isoxazolyl)-1-phenylethyl]pentane-2,4-dione IUPAC Name: 3-[2-(3-methyl-4-nitro-1,2-oxazol-5-yl)-1-phenylethyl]pentane-2,4-dione Traditional Name: 3-[2-(3-methyl-4-nitro-isoxazol-5-yl)-1-phenyl-ethyl]pentane-2,4-dione Formula: C17H18N2O5 MolecularWeight: 330.33522

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=C1[N+](=O)[O-])CC(C2=CC=CC=C2)C(C(=O)C)C(=O)C

Isomeric SMILES

CC1=NOC(=C1[N+](=O)[O-])CC(C2=CC=CC=C2)C(C(=O)C)C(=O)C

InChI

InChI=1S/C17H18N2O5/c1-10-17(19(22)23)15(24-18-10)9-14(13-7-5-4-6-8-13)16(11(2)20)12(3)21/h4-8,14,16H,9H2,1-3H3