2-(5-chloranyl-2,4-dinitro-phenyl)-1-phenyl-butane-1,3-dione

Systemtic Name: 2-(5-chloranyl-2,4-dinitro-phenyl)-1-phenyl-butane-1,3-dione Openeye Name: 2-(5-chloro-2,4-dinitro-phenyl)-1-phenyl-butane-1,3-dione CAS Name: 2-(5-chloro-2,4-dinitrophenyl)-1-phenylbutane-1,3-dione IUPAC Name: 2-(5-chloro-2,4-dinitrophenyl)-1-phenylbutane-1,3-dione Traditional Name: 2-(5-chloro-2,4-dinitro-phenyl)-1-phenyl-butane-1,3-dione Formula: C16H11ClN2O6 MolecularWeight: 362.72134

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H11ClN2O6/c1-9(20)15(16(21)10-5-3-2-4-6-10)11-7-12(17)14(19(24)25)8-13(11)18(22)23/h2-8,15H,1H3