3-bromanyl-4-methyl-2,6-dinitro-5-oxidanyl-benzoic acid

Systemtic Name: 3-bromanyl-4-methyl-2,6-dinitro-5-oxidanyl-benzoic acid Openeye Name: 3-bromo-5-hydroxy-4-methyl-2,6-dinitro-benzoic acid CAS Name: 3-bromo-5-hydroxy-4-methyl-2,6-dinitrobenzoic acid IUPAC Name: 3-bromo-5-hydroxy-4-methyl-2,6-dinitrobenzoic acid Traditional Name: 3-bromo-5-hydroxy-4-methyl-2,6-dinitro-benzoic acid Formula: C8H5BrN2O7 MolecularWeight: 321.0385

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1Br)[N+](=O)[O-])C(=O)O)[N+](=O)[O-])O

Isomeric SMILES

CC1=C(C(=C(C(=C1Br)[N+](=O)[O-])C(=O)O)[N+](=O)[O-])O

InChI

InChI=1S/C8H5BrN2O7/c1-2-4(9)5(10(15)16)3(8(13)14)6(7(2)12)11(17)18/h12H,1H3,(H,13,14)