5-(4-chloranyl-3,5-dinitro-phenyl)-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-(4-chloranyl-3,5-dinitro-phenyl)-5-oxidanylidene-pentanoic acid Openeye Name: 5-(4-chloro-3,5-dinitro-phenyl)-5-oxo-pentanoic acid CAS Name: 5-(4-chloro-3,5-dinitrophenyl)-5-oxopentanoic acid IUPAC Name: 5-(4-chloro-3,5-dinitrophenyl)-5-oxopentanoic acid Traditional Name: 5-(4-chloro-3,5-dinitro-phenyl)-5-keto-valeric acid Formula: C11H9ClN2O7 MolecularWeight: 316.65136

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H9ClN2O7/c12-11-7(13(18)19)4-6(5-8(11)14(20)21)9(15)2-1-3-10(16)17/h4-5H,1-3H2,(H,16,17)