Ethyl (2E) 4-[(6-chloro-1H-indazol-3-yl)amino]-4-oxo-2-butenoate

HCID 9994564
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Basic information

Standard SMILES
CCOC(=O)/C=C/C(=O)Nc1n[nH]c2cc(Cl)ccc12
InChIKey
SDRUEXONAYGMDS-AATRIKPKSA-N
Molecular formula
C13H12ClN3O3
Average molar mass
293.7 g/mol

Names & identifiers

Preferred name
Ethyl (2E) 4-[(6-chloro-1H-indazol-3-yl)amino]-4-oxo-2-butenoate
IUPAC
ethyl (E)-4-[(6-chloro-1H-indazol-3-yl)amino]-4-oxobut-2-enoate

Names & synonyms

SCHEMBL6478328SDRUEXONAYGMDS-AATRIKPKSA-NEthyl (2E) 4-[(6-chloro-1H-indazol-3-yl)amino]-4-oxo-2-butenoate

Database identifiers

PubChem CID
9994564

Properties

Computed structural properties

XLogP
2.2
Topological polar surface area
84.1 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
4
Rotatable bonds
5
Heavy atoms
20

Related reactions

2 records
New reaction record

Compound notes

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