3-[(3,5-dinitrophenyl)methyl]furan-2-carboxylate

Systemtic Name: 3-[(3,5-dinitrophenyl)methyl]furan-2-carboxylate Openeye Name: 3-[(3,5-dinitrophenyl)methyl]furan-2-carboxylate CAS Name: 3-[(3,5-dinitrophenyl)methyl]-2-furancarboxylate IUPAC Name: 3-[(3,5-dinitrophenyl)methyl]furan-2-carboxylate Traditional Name: 3-(3,5-dinitrobenzyl)-2-furoate Formula: C12H7N2O7- MolecularWeight: 291.19318

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Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1CC2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])C(=O)[O-]

Isomeric SMILES

C1=COC(=C1CC2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])C(=O)[O-]

InChI

InChI=1S/C12H8N2O7/c15-12(16)11-8(1-2-21-11)3-7-4-9(13(17)18)6-10(5-7)14(19)20/h1-2,4-6H,3H2,(H,15,16)/p-1