4-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)diazenyl]benzoic acid

Systemtic Name: 4-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)diazenyl]benzoic acid Openeye Name: 4-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)azobenzoic acid CAS Name: 4-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)azo]benzoic acid IUPAC Name: 4-[(3,5-dimethyl-1-phenylpyrazol-4-yl)diazenyl]benzoic acid Traditional Name: 4-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)azobenzoic acid Formula: C18H16N4O2 MolecularWeight: 320.34524

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)N=NC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)N=NC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C18H16N4O2/c1-12-17(13(2)22(21-12)16-6-4-3-5-7-16)20-19-15-10-8-14(9-11-15)18(23)24/h3-11H,1-2H3,(H,23,24)