phenacyl 5-nitro-2-oxidanyl-benzoate

Systemtic Name: phenacyl 5-nitro-2-oxidanyl-benzoate Openeye Name: phenacyl 2-hydroxy-5-nitro-benzoate CAS Name: 2-hydroxy-5-nitrobenzoic acid phenacyl ester IUPAC Name: phenacyl 2-hydroxy-5-nitrobenzoate Traditional Name: 2-hydroxy-5-nitro-benzoic acid phenacyl ester Formula: C15H11NO6 MolecularWeight: 301.25094

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H11NO6/c17-13-7-6-11(16(20)21)8-12(13)15(19)22-9-14(18)10-4-2-1-3-5-10/h1-8,17H,9H2