4-chloranyl-2-methyl-3,5-dinitro-benzoic acid

Systemtic Name: 4-chloranyl-2-methyl-3,5-dinitro-benzoic acid Openeye Name: 4-chloro-2-methyl-3,5-dinitro-benzoic acid CAS Name: 4-chloro-2-methyl-3,5-dinitrobenzoic acid IUPAC Name: 4-chloro-2-methyl-3,5-dinitrobenzoic acid Traditional Name: 4-chloro-2-methyl-3,5-dinitro-benzoic acid Formula: C8H5ClN2O6 MolecularWeight: 260.5881

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H5ClN2O6/c1-3-4(8(12)13)2-5(10(14)15)6(9)7(3)11(16)17/h2H,1H3,(H,12,13)