3-[3-[[(3-nitropyridin-4-yl)amino]methyl]furan-2-yl]propanoic acid

Systemtic Name: 3-[3-[[(3-nitropyridin-4-yl)amino]methyl]furan-2-yl]propanoic acid Openeye Name: 3-[3-[[(3-nitro-4-pyridyl)amino]methyl]-2-furyl]propanoic acid CAS Name: 3-[3-[[(3-nitro-4-pyridinyl)amino]methyl]-2-furanyl]propanoic acid IUPAC Name: 3-[3-[[(3-nitropyridin-4-yl)amino]methyl]furan-2-yl]propanoic acid Traditional Name: 3-[3-[[(3-nitro-4-pyridyl)amino]methyl]-2-furyl]propionic acid Formula: C13H13N3O5 MolecularWeight: 291.25942

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=CC(=C1NCC2=C(OC=C2)CCC(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CN=CC(=C1NCC2=C(OC=C2)CCC(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C13H13N3O5/c17-13(18)2-1-12-9(4-6-21-12)7-15-10-3-5-14-8-11(10)16(19)20/h3-6,8H,1-2,7H2,(H,14,15)(H,17,18)