methyl 6-methyl-3-nitro-2-oxidanyl-4-(2-oxidanylidenepropyl)benzoate

Systemtic Name: methyl 6-methyl-3-nitro-2-oxidanyl-4-(2-oxidanylidenepropyl)benzoate Openeye Name: methyl 4-acetonyl-2-hydroxy-6-methyl-3-nitro-benzoate CAS Name: 2-hydroxy-6-methyl-3-nitro-4-(2-oxopropyl)benzoic acid methyl ester IUPAC Name: methyl 2-hydroxy-6-methyl-3-nitro-4-(2-oxopropyl)benzoate Traditional Name: 4-acetonyl-2-hydroxy-6-methyl-3-nitro-benzoic acid methyl ester Formula: C12H13NO6 MolecularWeight: 267.23472

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C(=O)OC)O)[N+](=O)[O-])CC(=O)C

Isomeric SMILES

CC1=CC(=C(C(=C1C(=O)OC)O)[N+](=O)[O-])CC(=O)C

InChI

InChI=1S/C12H13NO6/c1-6-4-8(5-7(2)14)10(13(17)18)11(15)9(6)12(16)19-3/h4,15H,5H2,1-3H3