4-chloranyl-2-methyl-3,5-dinitro-benzoate

Systemtic Name: 4-chloranyl-2-methyl-3,5-dinitro-benzoate Openeye Name: 4-chloro-2-methyl-3,5-dinitro-benzoate CAS Name: 4-chloro-2-methyl-3,5-dinitrobenzoate IUPAC Name: 4-chloro-2-methyl-3,5-dinitrobenzoate Traditional Name: 4-chloro-2-methyl-3,5-dinitro-benzoate Formula: C8H4ClN2O6- MolecularWeight: 259.58016

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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)/p-1