NSC77997

Molecular Formula: C21H17N4O9+


InChI: InChI=1/C15H13NO2.C6H3N3O7/c17-15(18)12-16-10-8-14(9-11-16)7-6-13-4-2-1-3-5-13;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h1-11H,12H2;1-2,10H/p+1/b7-6+;/fC15H14NO2.C6H3N3O7/h17H;/q+1;

InChIKey: InChIKey=DOYFGNGDQXNZFD-HFTOXVNPDA
SMILES: C1=CC=C(C=C1)C=CC2=CC=[N+](C=C2)CC(=O)O.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Names:
    NSC77997
    2-[4-[(E)-2-phenylethenyl]pyridin-1-yl]acetic acid; 2,4,6-trinitrophenol

Registries:
    PubChem CID 5357464
    PubChem ID 118610