phenacyl 3,5-dinitrobenzoate

Systemtic Name: phenacyl 3,5-dinitrobenzoate Openeye Name: phenacyl 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid phenacyl ester IUPAC Name: phenacyl 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid phenacyl ester Formula: C15H10N2O7 MolecularWeight: 330.2491

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H10N2O7/c18-14(10-4-2-1-3-5-10)9-24-15(19)11-6-12(16(20)21)8-13(7-11)17(22)23/h1-8H,9H2