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

Systemtic Name: 2-[5-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)-1,2-dihydropyrazol-3-yl]benzoic acid Openeye Name: 2-[5-(4-oxocyclohexa-2,5-dien-1-ylidene)-1,2-dihydropyrazol-3-yl]benzoic acid CAS Name: 2-[5-(4-oxo-1-cyclohexa-2,5-dienylidene)-1,2-dihydropyrazol-3-yl]benzoic acid IUPAC Name: 2-[5-(4-oxocyclohexa-2,5-dien-1-ylidene)-1,2-dihydropyrazol-3-yl]benzoic acid Traditional Name: 2-[5-(4-ketocyclohexa-2,5-dien-1-ylidene)-3-pyrazolin-3-yl]benzoic acid Formula: C16H12N2O3 MolecularWeight: 280.27808

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=CC(=C3C=CC(=O)C=C3)NN2)C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)C2=CC(=C3C=CC(=O)C=C3)NN2)C(=O)O

InChI

InChI=1S/C16H12N2O3/c19-11-7-5-10(6-8-11)14-9-15(18-17-14)12-3-1-2-4-13(12)16(20)21/h1-9,17-18H,(H,20,21)