4-[[(E)-1-[5-(4-tert-butylphenyl)-1-methyl-4-oxidanyl-pyrazol-3-yl]ethylideneamino]carbamoyl]benzoic acid

Systemtic Name: 4-[[(E)-1-[5-(4-tert-butylphenyl)-1-methyl-4-oxidanyl-pyrazol-3-yl]ethylideneamino]carbamoyl]benzoic acid Openeye Name: 4-[[(E)-1-[5-(4-tert-butylphenyl)-4-hydroxy-1-methyl-pyrazol-3-yl]ethylideneamino]carbamoyl]benzoic acid CAS Name: 4-[[(2E)-2-[1-[5-(4-tert-butylphenyl)-4-hydroxy-1-methyl-3-pyrazolyl]ethylidene]hydrazinyl]-oxomethyl]benzoic acid IUPAC Name: 4-[[(E)-1-[5-(4-tert-butylphenyl)-4-hydroxy-1-methylpyrazol-3-yl]ethylideneamino]carbamoyl]benzoic acid Traditional Name: 4-[[(E)-1-[5-(4-tert-butylphenyl)-4-hydroxy-1-methyl-pyrazol-3-yl]ethylideneamino]carbamoyl]benzoic acid Formula: C24H26N4O4 MolecularWeight: 434.48764

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=O)C1=CC=C(C=C1)C(=O)O)C2=NN(C(=C2O)C3=CC=C(C=C3)C(C)(C)C)C

Isomeric SMILES

C/C(=N\NC(=O)C1=CC=C(C=C1)C(=O)O)/C2=NN(C(=C2O)C3=CC=C(C=C3)C(C)(C)C)C

InChI

InChI=1S/C24H26N4O4/c1-14(25-26-22(30)16-6-8-17(9-7-16)23(31)32)19-21(29)20(28(5)27-19)15-10-12-18(13-11-15)24(2,3)4/h6-13,29H,1-5H3,(H,26,30)(H,31,32)/b25-14+