5-chloranyl-4-nitro-2-(2-nitro-1-oxidanyl-ethyl)benzoic acid

Systemtic Name: 5-chloranyl-4-nitro-2-(2-nitro-1-oxidanyl-ethyl)benzoic acid Openeye Name: 5-chloro-2-(1-hydroxy-2-nitro-ethyl)-4-nitro-benzoic acid CAS Name: 5-chloro-2-(1-hydroxy-2-nitroethyl)-4-nitrobenzoic acid IUPAC Name: 5-chloro-2-(1-hydroxy-2-nitroethyl)-4-nitrobenzoic acid Traditional Name: 5-chloro-2-(1-hydroxy-2-nitro-ethyl)-4-nitro-benzoic acid Formula: C9H7ClN2O7 MolecularWeight: 290.61408

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H7ClN2O7/c10-6-1-5(9(14)15)4(2-7(6)12(18)19)8(13)3-11(16)17/h1-2,8,13H,3H2,(H,14,15)