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

Systemtic Name: 3-methyl-5-[(5-nitrofuran-2-yl)carbonylamino]-2-oxidanyl-benzoic acid Openeye Name: 2-hydroxy-3-methyl-5-[(5-nitrofuran-2-carbonyl)amino]benzoic acid CAS Name: 2-hydroxy-3-methyl-5-[[(5-nitro-2-furanyl)-oxomethyl]amino]benzoic acid IUPAC Name: 2-hydroxy-3-methyl-5-[(5-nitrofuran-2-carbonyl)amino]benzoic acid Traditional Name: 2-hydroxy-3-methyl-5-[(5-nitro-2-furoyl)amino]benzoic acid Formula: C13H10N2O7 MolecularWeight: 306.2277

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)NC(=O)C2=CC=C(O2)[N+](=O)[O-])C(=O)O)O

Isomeric SMILES

CC1=C(C(=CC(=C1)NC(=O)C2=CC=C(O2)[N+](=O)[O-])C(=O)O)O

InChI

InChI=1S/C13H10N2O7/c1-6-4-7(5-8(11(6)16)13(18)19)14-12(17)9-2-3-10(22-9)15(20)21/h2-5,16H,1H3,(H,14,17)(H,18,19)