Propyl 5-(acetylamino)-4-(((5-nitro-2-furanyl)methylene)amino)-2-furancarboxylate

HCID 147377

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Basic information

CAS: 31145-92-3
Standard SMILES: CCCOC(=O)c1cc(N=Cc2ccc([N+](=O)[O-])o2)c(NC(C)=O)o1
InChIKey: UXXSUINIDRVILZ-UHFFFAOYSA-N
Molecular formula: C15H15N3O7
Average molar mass: 349.29 g/mol
Monoisotopic mass: 349.09099983

Names & identifiers

Preferred name: Propyl 5-(acetylamino)-4-(((5-nitro-2-furanyl)methylene)amino)-2-furancarboxylate
IUPAC: propyl 5-acetamido-4-[(5-nitrofuran-2-yl)methylideneamino]furan-2-carboxylate

Names & synonyms

Propyl 5-(acetylamino)-4-(((5-nitro-2-furanyl)methylene)amino)-2-furancarboxylate31145-92-32-Furancarboxylic acid, 5-(acetylamino)-4-(((5-nitro-2-furanyl)methylene)amino)-, propyl ester

Database identifiers

CAS: 31145-92-3
PubChem CID: 147377

Properties

Computed structural properties

XLogP: 2.4
Topological polar surface area: 140 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 8
Rotatable bonds: 7
Heavy atoms: 25
Formal charge: 0
Complexity: 534

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