(2-bromanyl-4,4-dinitro-cyclohexa-2,5-dien-1-yl)-phenyl-methanone

Systemtic Name: (2-bromanyl-4,4-dinitro-cyclohexa-2,5-dien-1-yl)-phenyl-methanone Openeye Name: (2-bromo-4,4-dinitro-cyclohexa-2,5-dien-1-yl)-phenyl-methanone CAS Name: (2-bromo-4,4-dinitro-1-cyclohexa-2,5-dienyl)-phenylmethanone IUPAC Name: (2-bromo-4,4-dinitrocyclohexa-2,5-dien-1-yl)-phenylmethanone Traditional Name: (2-bromo-4,4-dinitro-cyclohexa-2,5-dien-1-yl)-phenyl-methanone Formula: C13H9BrN2O5 MolecularWeight: 353.12496

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C2C=CC(C=C2Br)([N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C2C=CC(C=C2Br)([N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H9BrN2O5/c14-11-8-13(15(18)19,16(20)21)7-6-10(11)12(17)9-4-2-1-3-5-9/h1-8,10H