3-[(5-nitrofuran-2-yl)carbonylamino]benzoic acid

Systemtic Name: 3-[(5-nitrofuran-2-yl)carbonylamino]benzoic acid Openeye Name: 3-[(5-nitrofuran-2-carbonyl)amino]benzoic acid CAS Name: 3-[[(5-nitro-2-furanyl)-oxomethyl]amino]benzoic acid IUPAC Name: 3-[(5-nitrofuran-2-carbonyl)amino]benzoic acid Traditional Name: 3-[(5-nitro-2-furoyl)amino]benzoic acid Formula: C12H8N2O6 MolecularWeight: 276.20172

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H8N2O6/c15-11(9-4-5-10(20-9)14(18)19)13-8-3-1-2-7(6-8)12(16)17/h1-6H,(H,13,15)(H,16,17)