methyl 3-(5-{(Z)-[1-(3-chlorophenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}furan-2-yl)benzoate

HCID 1007395

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Basic information

CAS: 5993-76-0
Standard SMILES: COC(=O)c1cccc(-c2ccc(/C=C3/C(=O)NN(c4cccc(Cl)c4)C3=O)o2)c1
InChIKey: SBBLBDRUBMCTHP-PDGQHHTCSA-N
Molecular formula: C22H15ClN2O5
Average molar mass: 422.8 g/mol
Monoisotopic mass: 422.0669493

Names & identifiers

Preferred name: methyl 3-(5-{(Z)-[1-(3-chlorophenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}furan-2-yl)benzoate
IUPAC: methyl 3-[5-[(Z)-[1-(3-chlorophenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl]furan-2-yl]benzoate

Names & synonyms

5993-76-0methyl 3-(5-{(Z)-[1-(3-chlorophenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}furan-2-yl)benzoatemethyl 3-[5-[(Z)-[1-(3-chlorophenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl]furan-2-yl]benzoateDTXSID00359803HTS09193SMSF0010871STK378579AKOS001730058CB11354BIM-0008849.P001AN-023/13438046methyl 3-(5-{[1-(3-chlorophenyl)-3,5-dioxo-4-pyrazolidinylidene]methyl}-2-furyl)benzoate

Show more names

(Z)-methyl 3-(5-((1-(3-chlorophenyl)-3,5-dioxopyrazolidin-4-ylidene)methyl)furan-2-yl)benzoate

Database identifiers

CAS: 5993-76-0
PubChem CID: 1007395
DTXSID: DTXSID00359803

Properties

Computed structural properties

XLogP: 4.1
Topological polar surface area: 88.9 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 5
Heavy atoms: 30
Formal charge: 0
Complexity: 726

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