2-(3-nitro-4-oxidanyl-phenyl)benzoate

Systemtic Name: 2-(3-nitro-4-oxidanyl-phenyl)benzoate Openeye Name: 2-(4-hydroxy-3-nitro-phenyl)benzoate CAS Name: 2-(4-hydroxy-3-nitrophenyl)benzoate IUPAC Name: 2-(4-hydroxy-3-nitrophenyl)benzoate Traditional Name: 2-(4-hydroxy-3-nitro-phenyl)benzoate Formula: C13H8NO5- MolecularWeight: 258.20632

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=CC(=C(C=C2)O)[N+](=O)[O-])C(=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)C2=CC(=C(C=C2)O)[N+](=O)[O-])C(=O)[O-]

InChI

InChI=1S/C13H9NO5/c15-12-6-5-8(7-11(12)14(18)19)9-3-1-2-4-10(9)13(16)17/h1-7,15H,(H,16,17)/p-1