5-(2-methyl-3,5-dinitro-phenyl)-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-(2-methyl-3,5-dinitro-phenyl)-5-oxidanylidene-pentanoic acid Openeye Name: 5-(2-methyl-3,5-dinitro-phenyl)-5-oxo-pentanoic acid CAS Name: 5-(2-methyl-3,5-dinitrophenyl)-5-oxopentanoic acid IUPAC Name: 5-(2-methyl-3,5-dinitrophenyl)-5-oxopentanoic acid Traditional Name: 5-keto-5-(2-methyl-3,5-dinitro-phenyl)valeric acid Formula: C12H12N2O7 MolecularWeight: 296.23288

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12N2O7/c1-7-9(11(15)3-2-4-12(16)17)5-8(13(18)19)6-10(7)14(20)21/h5-6H,2-4H2,1H3,(H,16,17)