(E)-4-ethoxy-4-oxidanyl-3-(3,4,5-trinitrophenyl)but-3-en-2-one

Systemtic Name: (E)-4-ethoxy-4-oxidanyl-3-(3,4,5-trinitrophenyl)but-3-en-2-one Openeye Name: (E)-4-ethoxy-4-hydroxy-3-(3,4,5-trinitrophenyl)but-3-en-2-one CAS Name: (E)-4-ethoxy-4-hydroxy-3-(3,4,5-trinitrophenyl)-3-buten-2-one IUPAC Name: (E)-4-ethoxy-4-hydroxy-3-(3,4,5-trinitrophenyl)but-3-en-2-one Traditional Name: (E)-4-ethoxy-4-hydroxy-3-(3,4,5-trinitrophenyl)but-3-en-2-one Formula: C12H11N3O9 MolecularWeight: 341.23044

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCO/C(=C(\C1=CC(=C(C(=C1)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])/C(=O)C)/O

InChI

InChI=1S/C12H11N3O9/c1-3-24-12(17)10(6(2)16)7-4-8(13(18)19)11(15(22)23)9(5-7)14(20)21/h4-5,17H,3H2,1-2H3/b12-10-