1-[3-(furan-2-ylmethylamino)-3-oxidanylidene-propyl]pyrazole-3-carboxylic acid

Systemtic Name: 1-[3-(furan-2-ylmethylamino)-3-oxidanylidene-propyl]pyrazole-3-carboxylic acid Openeye Name: 1-[3-(2-furylmethylamino)-3-oxo-propyl]pyrazole-3-carboxylic acid CAS Name: 1-[3-(2-furanylmethylamino)-3-oxopropyl]-3-pyrazolecarboxylic acid IUPAC Name: 1-[3-(furan-2-ylmethylamino)-3-oxopropyl]pyrazole-3-carboxylic acid Traditional Name: 1-[3-(2-furfurylamino)-3-keto-propyl]pyrazole-3-carboxylic acid Formula: C12H13N3O4 MolecularWeight: 263.24932

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Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)CNC(=O)CCN2C=CC(=N2)C(=O)O

Isomeric SMILES

C1=COC(=C1)CNC(=O)CCN2C=CC(=N2)C(=O)O

InChI

InChI=1S/C12H13N3O4/c16-11(13-8-9-2-1-7-19-9)4-6-15-5-3-10(14-15)12(17)18/h1-3,5,7H,4,6,8H2,(H,13,16)(H,17,18)