4-[[6-(furan-2-ylmethylamino)pyridin-3-yl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[6-(furan-2-ylmethylamino)pyridin-3-yl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[[6-(2-furylmethylamino)-3-pyridyl]amino]-4-oxo-butanoic acid CAS Name: 4-[[6-(2-furanylmethylamino)-3-pyridinyl]amino]-4-oxobutanoic acid IUPAC Name: 4-[[6-(furan-2-ylmethylamino)pyridin-3-yl]amino]-4-oxobutanoic acid Traditional Name: 4-[[6-(2-furfurylamino)-3-pyridyl]amino]-4-keto-butyric acid Formula: C14H15N3O4 MolecularWeight: 289.2866

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Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)CNC2=NC=C(C=C2)NC(=O)CCC(=O)O

Isomeric SMILES

C1=COC(=C1)CNC2=NC=C(C=C2)NC(=O)CCC(=O)O

InChI

InChI=1S/C14H15N3O4/c18-13(5-6-14(19)20)17-10-3-4-12(15-8-10)16-9-11-2-1-7-21-11/h1-4,7-8H,5-6,9H2,(H,15,16)(H,17,18)(H,19,20)