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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(=O)C(=CC1=CC(=C(C(=C1)O)OC)[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(20-3)12(17)6-9/h4-6,17H,1-3H3