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

Systemtic Name: 3-methyl-4-[(5-nitrofuran-2-yl)carbonylamino]benzoic acid Openeye Name: 3-methyl-4-[(5-nitrofuran-2-carbonyl)amino]benzoic acid CAS Name: 3-methyl-4-[[(5-nitro-2-furanyl)-oxomethyl]amino]benzoic acid IUPAC Name: 3-methyl-4-[(5-nitrofuran-2-carbonyl)amino]benzoic acid Traditional Name: 3-methyl-4-[(5-nitro-2-furoyl)amino]benzoic acid Formula: C13H10N2O6 MolecularWeight: 290.2283

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H10N2O6/c1-7-6-8(13(17)18)2-3-9(7)14-12(16)10-4-5-11(21-10)15(19)20/h2-6H,1H3,(H,14,16)(H,17,18)