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

Systemtic Name: 3-methyl-2-[(5-nitrofuran-2-yl)methylamino]butanoic acid Openeye Name: 3-methyl-2-[(5-nitro-2-furyl)methylamino]butanoic acid CAS Name: 3-methyl-2-[(5-nitro-2-furanyl)methylamino]butanoic acid IUPAC Name: 3-methyl-2-[(5-nitrofuran-2-yl)methylamino]butanoic acid Traditional Name: 3-methyl-2-[(5-nitro-2-furyl)methylamino]butyric acid Formula: C10H14N2O5 MolecularWeight: 242.22856

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NCC1=CC=C(O1)[N+](=O)[O-]

Isomeric SMILES

CC(C)C(C(=O)O)NCC1=CC=C(O1)[N+](=O)[O-]

InChI

InChI=1S/C10H14N2O5/c1-6(2)9(10(13)14)11-5-7-3-4-8(17-7)12(15)16/h3-4,6,9,11H,5H2,1-2H3,(H,13,14)