(5E)-5-(3-methyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)-2H-1,2-oxazole-3-carboxylic acid

Systemtic Name: (5E)-5-(3-methyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)-2H-1,2-oxazole-3-carboxylic acid Openeye Name: (5E)-5-(3-methyl-6-oxo-cyclohexa-2,4-dien-1-ylidene)-2H-isoxazole-3-carboxylic acid CAS Name: (5E)-5-(3-methyl-6-oxo-1-cyclohexa-2,4-dienylidene)-2H-isoxazole-3-carboxylic acid IUPAC Name: (5E)-5-(3-methyl-6-oxocyclohexa-2,4-dien-1-ylidene)-2H-1,2-oxazole-3-carboxylic acid Traditional Name: (5E)-5-(6-keto-3-methyl-cyclohexa-2,4-dien-1-ylidene)-3-isoxazoline-3-carboxylic acid Formula: C11H9NO4 MolecularWeight: 219.19346

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C=C(NO2)C(=O)O)C(=O)C=C1

Isomeric SMILES

CC1=C/C(=C\2/C=C(NO2)C(=O)O)/C(=O)C=C1

InChI

InChI=1S/C11H9NO4/c1-6-2-3-9(13)7(4-6)10-5-8(11(14)15)12-16-10/h2-5,12H,1H3,(H,14,15)/b10-7+