3-(4-{(z)-[4-(2,3-Dioxopropyl)phenyl]-nno-azoxy}phenyl)-2-oxopropanal

HCID 249166

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Basic information

CAS: 6971-70-6
Standard SMILES: O=CC(=O)Cc1ccc(N=[N+]([O-])c2ccc(CC(=O)C=O)cc2)cc1
InChIKey: WRXHQWBGGZKUCE-UHFFFAOYSA-N
Molecular formula: C18H14N2O5
Average molar mass: 338.3 g/mol
Monoisotopic mass: 338.09027155

Names & identifiers

Preferred name: 3-(4-{(z)-[4-(2,3-Dioxopropyl)phenyl]-nno-azoxy}phenyl)-2-oxopropanal
IUPAC: [4-(2,3-dioxopropyl)phenyl]-[4-(2,3-dioxopropyl)phenyl]imino-oxidoazanium

Names & synonyms

6971-70-63-(4-{(z)-[4-(2,3-dioxopropyl)phenyl]-nno-azoxy}phenyl)-2-oxopropanalNSC672113-Pyridinol,4-methyl-NCIOpen2_008347DTXSID90290175NSC-672114-[(carbamoylamino)imino]pentanoic acidDS-0144083-Pyridinol, 5-[[ (2-chloroethyl)thio]methyl]-2,4-methyl-

Database identifiers

CAS: 6971-70-6
PubChem CID: 249166
DTXSID: DTXSID90290175

Properties

Computed structural properties

XLogP: 1.7
Topological polar surface area: 109 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 6
Rotatable bonds: 8
Heavy atoms: 25
Formal charge: 0
Complexity: 530

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