[1-(furan-2-ylmethylamino)-1-oxidanylidene-propan-2-yl] 4-pyrazol-1-ylbenzoate

Systemtic Name: [1-(furan-2-ylmethylamino)-1-oxidanylidene-propan-2-yl] 4-pyrazol-1-ylbenzoate Openeye Name: [2-(2-furylmethylamino)-1-methyl-2-oxo-ethyl] 4-pyrazol-1-ylbenzoate CAS Name: 4-(1-pyrazolyl)benzoic acid [1-(2-furanylmethylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 4-pyrazol-1-ylbenzoate Traditional Name: 4-pyrazol-1-ylbenzoic acid [2-(2-furfurylamino)-2-keto-1-methyl-ethyl] ester Formula: C18H17N3O4 MolecularWeight: 339.34528

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=CO1)OC(=O)C2=CC=C(C=C2)N3C=CC=N3

Isomeric SMILES

CC(C(=O)NCC1=CC=CO1)OC(=O)C2=CC=C(C=C2)N3C=CC=N3

InChI

InChI=1S/C18H17N3O4/c1-13(17(22)19-12-16-4-2-11-24-16)25-18(23)14-5-7-15(8-6-14)21-10-3-9-20-21/h2-11,13H,12H2,1H3,(H,19,22)