Basic information
- CAS
23711-54-8- Standard SMILES
CCOC(=O)c1ccc(N=Cc2c(O)n(-c3ccccc3)n(-c3ccccc3)c2=O)cc1- InChIKey
SBAPCVUKHIXKME-UHFFFAOYSA-N- Molecular formula
- C25H21N3O4
- Average molar mass
- 427.5 g/mol
- Monoisotopic mass
- 427.15320616
Names & identifiers
- Preferred name
- Benzoic acid, p-((3,5-dioxo-1,2-diphenylpyrazolidinylidene)methylamino)-, ethyl ester
- IUPAC
- ethyl 4-[(3-hydroxy-5-oxo-1,2-diphenylpyrazol-4-yl)methylideneamino]benzoate
- English name
- 4-[[(3,5-Dioxo-1,2-diphenylpyrazolidin-4-ylidene)methyl]amino]benzoic acid ethyl ester
- Molecular formula
- C25H21N3O4
- Molecular weight
- 427.45
Names & synonyms
23711-54-8Benzoic acid, p-((3,5-dioxo-1,2-diphenylpyrazolidinylidene)methylamino)-, ethyl esterBRN 24228251,2-Diphenyl-4-(p-ethoxycarbonylanilino)methylidyne-3,5-pyrazolidinedionep-((3,5-Dioxo-1,2-diphenylpyrazolidinylidene)methylamino)benzoic acid ethyl esterDTXSID80178377ethyl 4-{[(3,5-dioxo-1,2-diphenylpyrazolidin-4-ylidene)methyl]amino}benzoate4-[[(3,5-Dioxo-1,2-diphenylpyrazolidin-4-ylidene)methyl]amino]benzoic acid ethyl esterBenzoic acid, 4-[[(3,5-dioxo-1,2-diphenyl-4-pyrazolidinylidene)methyl]amino]-, ethyl ester
Database identifiers
- CAS
23711-54-8- PubChem CID
- 32047
- DTXSID
DTXSID80178377- Nikkaji
- J42.700D
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 82.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 729
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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