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

HCID 147376

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Basic information

CAS: 31145-91-2
Standard SMILES: COC(=O)c1cc(N=Cc2ccc([N+](=O)[O-])o2)c(NC(C)=O)o1
InChIKey: SAGSSJJUUVCZQC-UHFFFAOYSA-N
Molecular formula: C13H11N3O7
Average molar mass: 321.24 g/mol
Monoisotopic mass: 321.0596997

Names & identifiers

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

Names & synonyms

Methyl 5-(acetylamino)-4-(((5-nitro-2-furanyl)methylene)amino)-2-furancarboxylate31145-91-22-Furancarboxylic acid, 5-(acetylamino)-4-(((5-nitro-2-furanyl)methylene)amino)-, methyl ester

Database identifiers

CAS: 31145-91-2
PubChem CID: 147376

Properties

Computed structural properties

XLogP: 1.5
Topological polar surface area: 140 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 8
Rotatable bonds: 5
Heavy atoms: 23
Formal charge: 0
Complexity: 504

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