3-[5-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)-1H-1,2,4-triazol-2-yl]benzoic acid

Systemtic Name: 3-[5-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)-1H-1,2,4-triazol-2-yl]benzoic acid Openeye Name: 3-[5-(4-oxocyclohexa-2,5-dien-1-ylidene)-1H-1,2,4-triazol-2-yl]benzoic acid CAS Name: 3-[5-(4-oxo-1-cyclohexa-2,5-dienylidene)-1H-1,2,4-triazol-2-yl]benzoic acid IUPAC Name: 3-[5-(4-oxocyclohexa-2,5-dien-1-ylidene)-1H-1,2,4-triazol-2-yl]benzoic acid Traditional Name: 3-[5-(4-ketocyclohexa-2,5-dien-1-ylidene)-1H-1,2,4-triazol-2-yl]benzoic acid Formula: C15H11N3O3 MolecularWeight: 281.26614

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)N2C=NC(=C3C=CC(=O)C=C3)N2)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)N2C=NC(=C3C=CC(=O)C=C3)N2)C(=O)O

InChI

InChI=1S/C15H11N3O3/c19-13-6-4-10(5-7-13)14-16-9-18(17-14)12-3-1-2-11(8-12)15(20)21/h1-9,17H,(H,20,21)