2-Ethoxyethyl 1-(4-chlorophenyl)-4,9-dioxobenzo[f]indazole-3-carboxylate

HCID 338384

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Basic information

CAS: 79712-63-3
Standard SMILES: CCOCCOC(=O)c1nn(-c2ccc(Cl)cc2)c2c1C(=O)c1ccccc1C2=O
InChIKey: AOTHYMRCVSJSFX-UHFFFAOYSA-N
Molecular formula: C22H17ClN2O5
Average molar mass: 424.8 g/mol
Monoisotopic mass: 424.0825993

Names & identifiers

Preferred name: 2-Ethoxyethyl 1-(4-chlorophenyl)-4,9-dioxobenzo[f]indazole-3-carboxylate
IUPAC: 2-ethoxyethyl 1-(4-chlorophenyl)-4,9-dioxobenzo[f]indazole-3-carboxylate

Names & synonyms

NSC36049379712-63-32-ethoxyethyl 1-(4-chlorophenyl)-4,9-dioxobenzo[f]indazole-3-carboxylateDTXSID10320504NSC-3604932-ethoxyethyl 1-(4-chlorophenyl)-4,9-dioxo-benzo[f]indazole-3-carboxylate2-Ethoxyethyl 1-(4-chlorophenyl)-4,9-dioxo-4,9-dihydro-1H-benzo[f]indazole-3-carboxylate1H-Benz[f]indazole-3-carboxylic acid, 1-(4-chlorophenyl)-4,9-dihydro-4,9-dioxo-, 2-ethoxyethyl ester

Database identifiers

CAS: 79712-63-3
PubChem CID: 338384
DTXSID: DTXSID10320504

Properties

Computed structural properties

XLogP: 4.2
Topological polar surface area: 87.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 6
Rotatable bonds: 7
Heavy atoms: 30
Formal charge: 0
Complexity: 666

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