sodium 5,6-diethyl-3-nitro-2-oxidanyl-chromen-4-one

Systemtic Name: sodium 5,6-diethyl-3-nitro-2-oxidanyl-chromen-4-one Openeye Name: sodium 5,6-diethyl-2-hydroxy-3-nitro-chromen-4-one CAS Name: sodium 5,6-diethyl-2-hydroxy-3-nitro-1-benzopyran-4-one IUPAC Name: sodium 5,6-diethyl-2-hydroxy-3-nitrochromen-4-one Traditional Name: sodium 5,6-diethyl-2-hydroxy-3-nitro-chromone Formula: C13H13NNaO5+ MolecularWeight: 286.23579

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=C(C=C1)OC(=C(C2=O)[N+](=O)[O-])O)CC.[Na+]

Isomeric SMILES

CCC1=C(C2=C(C=C1)OC(=C(C2=O)[N+](=O)[O-])O)CC.[Na+]

InChI

InChI=1S/C13H13NO5.Na/c1-3-7-5-6-9-10(8(7)4-2)12(15)11(14(17)18)13(16)19-9;/h5-6,16H,3-4H2,1-2H3;/q;+1