2-(2,4,6-trinitrophenoxy)cyclohepta-2,4,6-trien-1-one

Systemtic Name: 2-(2,4,6-trinitrophenoxy)cyclohepta-2,4,6-trien-1-one Openeye Name: 2-(2,4,6-trinitrophenoxy)cyclohepta-2,4,6-trien-1-one CAS Name: 2-(2,4,6-trinitrophenoxy)-1-cyclohepta-2,4,6-trienone IUPAC Name: 2-(2,4,6-trinitrophenoxy)cyclohepta-2,4,6-trien-1-one Traditional Name: 2-(2,4,6-trinitrophenoxy)cyclohepta-2,4,6-trien-1-one Formula: C13H7N3O8 MolecularWeight: 333.20998

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=O)C=C1)OC2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=O)C=C1)OC2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H7N3O8/c17-11-4-2-1-3-5-12(11)24-13-9(15(20)21)6-8(14(18)19)7-10(13)16(22)23/h1-7H