3-[(3-methoxy-5-nitro-4-oxidanyl-phenyl)methylidene]pentane-2,4-dione

Systemtic Name: 3-[(3-methoxy-5-nitro-4-oxidanyl-phenyl)methylidene]pentane-2,4-dione Openeye Name: 3-[(4-hydroxy-3-methoxy-5-nitro-phenyl)methylene]pentane-2,4-dione CAS Name: 3-[(4-hydroxy-3-methoxy-5-nitrophenyl)methylidene]pentane-2,4-dione IUPAC Name: 3-[(4-hydroxy-3-methoxy-5-nitrophenyl)methylidene]pentane-2,4-dione Traditional Name: 3-(4-hydroxy-3-methoxy-5-nitro-benzylidene)pentane-2,4-dione Formula: C13H13NO6 MolecularWeight: 279.24542

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13NO6/c1-7(15)10(8(2)16)4-9-5-11(14(18)19)13(17)12(6-9)20-3/h4-6,17H,1-3H3