4-[(2E)-2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methylidene]hydrazinyl]benzoic acid

Systemtic Name: 4-[(2E)-2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methylidene]hydrazinyl]benzoic acid Openeye Name: 4-[(2E)-2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methylene]hydrazino]benzoic acid CAS Name: 4-[(2E)-2-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)methylidene]hydrazinyl]benzoic acid IUPAC Name: 4-[(2E)-2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylidene]hydrazinyl]benzoic acid Traditional Name: 4-[(N'E)-N'-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methylene]hydrazino]benzoic acid Formula: C19H18N4O2 MolecularWeight: 334.37182

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)C=NNC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C19H18N4O2/c1-13-18(14(2)23(22-13)17-6-4-3-5-7-17)12-20-21-16-10-8-15(9-11-16)19(24)25/h3-12,21H,1-2H3,(H,24,25)/b20-12+