methyl 4-[[(Z)-1-[5-(4-tert-butylphenyl)-1-methyl-4-oxidanyl-pyrazol-3-yl]ethylideneamino]carbamoyl]benzoate

Systemtic Name: methyl 4-[[(Z)-1-[5-(4-tert-butylphenyl)-1-methyl-4-oxidanyl-pyrazol-3-yl]ethylideneamino]carbamoyl]benzoate Openeye Name: methyl 4-[[(Z)-1-[5-(4-tert-butylphenyl)-4-hydroxy-1-methyl-pyrazol-3-yl]ethylideneamino]carbamoyl]benzoate CAS Name: 4-[[(2Z)-2-[1-[5-(4-tert-butylphenyl)-4-hydroxy-1-methyl-3-pyrazolyl]ethylidene]hydrazinyl]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[(Z)-1-[5-(4-tert-butylphenyl)-4-hydroxy-1-methylpyrazol-3-yl]ethylideneamino]carbamoyl]benzoate Traditional Name: 4-[[(Z)-1-[5-(4-tert-butylphenyl)-4-hydroxy-1-methyl-pyrazol-3-yl]ethylideneamino]carbamoyl]benzoic acid methyl ester Formula: C25H28N4O4 MolecularWeight: 448.51422

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C25H28N4O4/c1-15(26-27-23(31)17-7-9-18(10-8-17)24(32)33-6)20-22(30)21(29(5)28-20)16-11-13-19(14-12-16)25(2,3)4/h7-14,30H,1-6H3,(H,27,31)/b26-15-