phenyl-(1,3,5-trinitrocyclohexa-2,4-dien-1-yl)methanone

Systemtic Name: phenyl-(1,3,5-trinitrocyclohexa-2,4-dien-1-yl)methanone Openeye Name: phenyl-(1,3,5-trinitrocyclohexa-2,4-dien-1-yl)methanone CAS Name: phenyl-(1,3,5-trinitro-1-cyclohexa-2,4-dienyl)methanone IUPAC Name: phenyl-(1,3,5-trinitrocyclohexa-2,4-dien-1-yl)methanone Traditional Name: phenyl-(1,3,5-trinitrocyclohexa-2,4-dien-1-yl)methanone Formula: C13H9N3O7 MolecularWeight: 319.22646

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=CC(=CC1(C(=O)C2=CC=CC=C2)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1C(=CC(=CC1(C(=O)C2=CC=CC=C2)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H9N3O7/c17-12(9-4-2-1-3-5-9)13(16(22)23)7-10(14(18)19)6-11(8-13)15(20)21/h1-7H,8H2