5-[6-(methylamino)-7-oxidanylidene-cyclohepta-1,3,5-trien-1-yl]-1,2-oxazole-3-carboxylic acid

Systemtic Name: 5-[6-(methylamino)-7-oxidanylidene-cyclohepta-1,3,5-trien-1-yl]-1,2-oxazole-3-carboxylic acid Openeye Name: 5-[6-(methylamino)-7-oxo-cyclohepta-1,3,5-trien-1-yl]isoxazole-3-carboxylic acid CAS Name: 5-[6-(methylamino)-7-oxo-1-cyclohepta-1,3,5-trienyl]-3-isoxazolecarboxylic acid IUPAC Name: 5-[6-(methylamino)-7-oxocyclohepta-1,3,5-trien-1-yl]-1,2-oxazole-3-carboxylic acid Traditional Name: 5-[7-keto-6-(methylamino)cyclohepta-1,3,5-trien-1-yl]isoxazole-3-carboxylic acid Formula: C12H10N2O4 MolecularWeight: 246.2188

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=CC=CC=C(C1=O)C2=CC(=NO2)C(=O)O

Isomeric SMILES

CNC1=CC=CC=C(C1=O)C2=CC(=NO2)C(=O)O

InChI

InChI=1S/C12H10N2O4/c1-13-8-5-3-2-4-7(11(8)15)10-6-9(12(16)17)14-18-10/h2-6H,1H3,(H,13,15)(H,16,17)