1-[3-(furan-2-ylmethylamino)-3-oxidanylidene-propyl]pyrazole-4-carboxylate

Systemtic Name: 1-[3-(furan-2-ylmethylamino)-3-oxidanylidene-propyl]pyrazole-4-carboxylate Openeye Name: 1-[3-(2-furylmethylamino)-3-oxo-propyl]pyrazole-4-carboxylate CAS Name: 1-[3-(2-furanylmethylamino)-3-oxopropyl]-4-pyrazolecarboxylate IUPAC Name: 1-[3-(furan-2-ylmethylamino)-3-oxopropyl]pyrazole-4-carboxylate Traditional Name: 1-[3-(2-furfurylamino)-3-keto-propyl]pyrazole-4-carboxylate Formula: C12H12N3O4- MolecularWeight: 262.24138

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Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)CNC(=O)CCN2C=C(C=N2)C(=O)[O-]

Isomeric SMILES

C1=COC(=C1)CNC(=O)CCN2C=C(C=N2)C(=O)[O-]

InChI

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