2-[(2-nitro-4-oxidanyl-phenyl)methyl]benzoic acid

Systemtic Name: 2-[(2-nitro-4-oxidanyl-phenyl)methyl]benzoic acid Openeye Name: 2-[(4-hydroxy-2-nitro-phenyl)methyl]benzoic acid CAS Name: 2-[(4-hydroxy-2-nitrophenyl)methyl]benzoic acid IUPAC Name: 2-[(4-hydroxy-2-nitrophenyl)methyl]benzoic acid Traditional Name: 2-(4-hydroxy-2-nitro-benzyl)benzoic acid Formula: C14H11NO5 MolecularWeight: 273.24084

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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