3-[2-[3-nitro-4,5-bis(oxidanyl)phenyl]ethylidene]pentane-2,4-dione

Systemtic Name: 3-[2-[3-nitro-4,5-bis(oxidanyl)phenyl]ethylidene]pentane-2,4-dione Openeye Name: 3-[2-(3,4-dihydroxy-5-nitro-phenyl)ethylidene]pentane-2,4-dione CAS Name: 3-[2-(3,4-dihydroxy-5-nitrophenyl)ethylidene]pentane-2,4-dione IUPAC Name: 3-[2-(3,4-dihydroxy-5-nitrophenyl)ethylidene]pentane-2,4-dione Traditional Name: 3-[2-(3,4-dihydroxy-5-nitro-phenyl)ethylidene]pentane-2,4-dione Formula: C13H13NO6 MolecularWeight: 279.24542

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=CCC1=CC(=C(C(=C1)O)O)[N+](=O)[O-])C(=O)C

Isomeric SMILES

CC(=O)C(=CCC1=CC(=C(C(=C1)O)O)[N+](=O)[O-])C(=O)C

InChI

InChI=1S/C13H13NO6/c1-7(15)10(8(2)16)4-3-9-5-11(14(19)20)13(18)12(17)6-9/h4-6,17-18H,3H2,1-2H3