4-[[(5-nitrofuran-2-yl)carbonylamino]methyl]benzoic acid

Systemtic Name: 4-[[(5-nitrofuran-2-yl)carbonylamino]methyl]benzoic acid Openeye Name: 4-[[(5-nitrofuran-2-carbonyl)amino]methyl]benzoic acid CAS Name: 4-[[[(5-nitro-2-furanyl)-oxomethyl]amino]methyl]benzoic acid IUPAC Name: 4-[[(5-nitrofuran-2-carbonyl)amino]methyl]benzoic acid Traditional Name: 4-[[(5-nitro-2-furoyl)amino]methyl]benzoic acid Formula: C13H10N2O6 MolecularWeight: 290.2283

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC(=O)C2=CC=C(O2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1=CC(=CC=C1CNC(=O)C2=CC=C(O2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C13H10N2O6/c16-12(10-5-6-11(21-10)15(19)20)14-7-8-1-3-9(4-2-8)13(17)18/h1-6H,7H2,(H,14,16)(H,17,18)