4-[(5-nitrofuran-2-yl)methylamino]butanoic acid

Systemtic Name: 4-[(5-nitrofuran-2-yl)methylamino]butanoic acid Openeye Name: 4-[(5-nitro-2-furyl)methylamino]butanoic acid CAS Name: 4-[(5-nitro-2-furanyl)methylamino]butanoic acid IUPAC Name: 4-[(5-nitrofuran-2-yl)methylamino]butanoic acid Traditional Name: 4-[(5-nitro-2-furyl)methylamino]butyric acid Formula: C9H12N2O5 MolecularWeight: 228.20198

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(OC(=C1)[N+](=O)[O-])CNCCCC(=O)O

Isomeric SMILES

C1=C(OC(=C1)[N+](=O)[O-])CNCCCC(=O)O

InChI

InChI=1S/C9H12N2O5/c12-9(13)2-1-5-10-6-7-3-4-8(16-7)11(14)15/h3-4,10H,1-2,5-6H2,(H,12,13)