5-[(5-methyl-3-nitro-2-oxidanidyl-phenyl)methyl]furan-2-carboxylate

Systemtic Name: 5-[(5-methyl-3-nitro-2-oxidanidyl-phenyl)methyl]furan-2-carboxylate Openeye Name: 5-[(5-methyl-3-nitro-2-oxido-phenyl)methyl]furan-2-carboxylate CAS Name: 5-[(5-methyl-3-nitro-2-oxidophenyl)methyl]-2-furancarboxylate IUPAC Name: 5-[(5-methyl-3-nitro-2-oxidophenyl)methyl]furan-2-carboxylate Traditional Name: 5-(5-methyl-3-nitro-2-oxido-benzyl)-2-furoate Formula: C13H9NO6-2 MolecularWeight: 275.21366

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)[N+](=O)[O-])[O-])CC2=CC=C(O2)C(=O)[O-]

Isomeric SMILES

CC1=CC(=C(C(=C1)[N+](=O)[O-])[O-])CC2=CC=C(O2)C(=O)[O-]

InChI

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