6-methyl-3-[1-(4-methylphenyl)-2-nitro-ethyl]-2-oxidanyl-pyran-4-one

Systemtic Name: 6-methyl-3-[1-(4-methylphenyl)-2-nitro-ethyl]-2-oxidanyl-pyran-4-one Openeye Name: 2-hydroxy-6-methyl-3-[2-nitro-1-(p-tolyl)ethyl]pyran-4-one CAS Name: 2-hydroxy-6-methyl-3-[1-(4-methylphenyl)-2-nitroethyl]-4-pyranone IUPAC Name: 2-hydroxy-6-methyl-3-[1-(4-methylphenyl)-2-nitroethyl]pyran-4-one Traditional Name: 2-hydroxy-6-methyl-3-[2-nitro-1-(p-tolyl)ethyl]pyran-4-one Formula: C15H15NO5 MolecularWeight: 289.2833

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C[N+](=O)[O-])C2=C(OC(=CC2=O)C)O

Isomeric SMILES

CC1=CC=C(C=C1)C(C[N+](=O)[O-])C2=C(OC(=CC2=O)C)O

InChI

InChI=1S/C15H15NO5/c1-9-3-5-11(6-4-9)12(8-16(19)20)14-13(17)7-10(2)21-15(14)18/h3-7,12,18H,8H2,1-2H3