2-[(5-methyl-1,2-oxazol-4-yl)carbonylamino]-5-nitro-benzoic acid

Systemtic Name: 2-[(5-methyl-1,2-oxazol-4-yl)carbonylamino]-5-nitro-benzoic acid Openeye Name: 2-[(5-methylisoxazole-4-carbonyl)amino]-5-nitro-benzoic acid CAS Name: 2-[[(5-methyl-4-isoxazolyl)-oxomethyl]amino]-5-nitrobenzoic acid IUPAC Name: 2-[(5-methyl-1,2-oxazole-4-carbonyl)amino]-5-nitrobenzoic acid Traditional Name: 2-[(5-methylisoxazole-4-carbonyl)amino]-5-nitro-benzoic acid Formula: C12H9N3O6 MolecularWeight: 291.21636

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NO1)C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC1=C(C=NO1)C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C12H9N3O6/c1-6-9(5-13-21-6)11(16)14-10-3-2-7(15(19)20)4-8(10)12(17)18/h2-5H,1H3,(H,14,16)(H,17,18)