3-nitro-2-oxidanyl-5-(phenylmethyl)benzoic acid

Systemtic Name: 3-nitro-2-oxidanyl-5-(phenylmethyl)benzoic acid Openeye Name: 5-benzyl-2-hydroxy-3-nitro-benzoic acid CAS Name: 2-hydroxy-3-nitro-5-(phenylmethyl)benzoic acid IUPAC Name: 5-benzyl-2-hydroxy-3-nitrobenzoic acid Traditional Name: 5-benzyl-2-hydroxy-3-nitro-benzoic acid Formula: C14H11NO5 MolecularWeight: 273.24084

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=CC(=C(C(=C2)C(=O)O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CC2=CC(=C(C(=C2)C(=O)O)O)[N+](=O)[O-]

InChI

InChI=1S/C14H11NO5/c16-13-11(14(17)18)7-10(8-12(13)15(19)20)6-9-4-2-1-3-5-9/h1-5,7-8,16H,6H2,(H,17,18)