phenyl 3,5-dinitro-2-oxidanyl-benzoate

Systemtic Name: phenyl 3,5-dinitro-2-oxidanyl-benzoate Openeye Name: phenyl 2-hydroxy-3,5-dinitro-benzoate CAS Name: 2-hydroxy-3,5-dinitrobenzoic acid phenyl ester IUPAC Name: phenyl 2-hydroxy-3,5-dinitrobenzoate Traditional Name: 2-hydroxy-3,5-dinitro-benzoic acid phenyl ester Formula: C13H8N2O7 MolecularWeight: 304.21182

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC(=O)C2=CC(=CC(=C2O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)OC(=O)C2=CC(=CC(=C2O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H8N2O7/c16-12-10(13(17)22-9-4-2-1-3-5-9)6-8(14(18)19)7-11(12)15(20)21/h1-7,16H