[4-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)iminomethyl]-2-oxidanyl-phenyl] butanoate

Systemtic Name: [4-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)iminomethyl]-2-oxidanyl-phenyl] butanoate Openeye Name: [4-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)iminomethyl]-2-hydroxy-phenyl] butanoate CAS Name: butanoic acid [4-[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)iminomethyl]-2-hydroxyphenyl] ester IUPAC Name: [4-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)iminomethyl]-2-hydroxyphenyl] butanoate Traditional Name: butyric acid [2-hydroxy-4-[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)iminomethyl]phenyl] ester Formula: C22H23N3O4 MolecularWeight: 393.43572

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OC1=C(C=C(C=C1)C=NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C)O

Isomeric SMILES

CCCC(=O)OC1=C(C=C(C=C1)C=NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C)O

InChI

InChI=1S/C22H23N3O4/c1-4-8-20(27)29-19-12-11-16(13-18(19)26)14-23-21-15(2)24(3)25(22(21)28)17-9-6-5-7-10-17/h5-7,9-14,26H,4,8H2,1-3H3