3-[5-methyl-3-(4-nitrophenyl)-4H-1,2-oxazol-5-yl]-6-oxidanylidene-heptanoic acid

Systemtic Name: 3-[5-methyl-3-(4-nitrophenyl)-4H-1,2-oxazol-5-yl]-6-oxidanylidene-heptanoic acid Openeye Name: 3-[5-methyl-3-(4-nitrophenyl)-4H-isoxazol-5-yl]-6-oxo-heptanoic acid CAS Name: 3-[5-methyl-3-(4-nitrophenyl)-4H-isoxazol-5-yl]-6-oxoheptanoic acid IUPAC Name: 3-[5-methyl-3-(4-nitrophenyl)-4H-1,2-oxazol-5-yl]-6-oxoheptanoic acid Traditional Name: 6-keto-3-[5-methyl-3-(4-nitrophenyl)-2-isoxazolin-5-yl]enanthic acid Formula: C17H20N2O6 MolecularWeight: 348.3505

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCC(CC(=O)O)C1(CC(=NO1)C2=CC=C(C=C2)[N+](=O)[O-])C

Isomeric SMILES

CC(=O)CCC(CC(=O)O)C1(CC(=NO1)C2=CC=C(C=C2)[N+](=O)[O-])C

InChI

InChI=1S/C17H20N2O6/c1-11(20)3-6-13(9-16(21)22)17(2)10-15(18-25-17)12-4-7-14(8-5-12)19(23)24/h4-5,7-8,13H,3,6,9-10H2,1-2H3,(H,21,22)