5-[(3-methyl-4-nitro-phenoxy)methyl]furan-2-carboxylate

Systemtic Name: 5-[(3-methyl-4-nitro-phenoxy)methyl]furan-2-carboxylate Openeye Name: 5-[(3-methyl-4-nitro-phenoxy)methyl]furan-2-carboxylate CAS Name: 5-[(3-methyl-4-nitrophenoxy)methyl]-2-furancarboxylate IUPAC Name: 5-[(3-methyl-4-nitrophenoxy)methyl]furan-2-carboxylate Traditional Name: 5-[(3-methyl-4-nitro-phenoxy)methyl]-2-furoate Formula: C13H10NO6- MolecularWeight: 276.2216

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCC2=CC=C(O2)C(=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)OCC2=CC=C(O2)C(=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H11NO6/c1-8-6-9(2-4-11(8)14(17)18)19-7-10-3-5-12(20-10)13(15)16/h2-6H,7H2,1H3,(H,15,16)/p-1