ethyl 1-[4-[2-(acetamidomethyl)-5-oxidanylidene-1,2-oxazol-4-yl]phenyl]pyrazole-4-carboxylate

Systemtic Name: ethyl 1-[4-[2-(acetamidomethyl)-5-oxidanylidene-1,2-oxazol-4-yl]phenyl]pyrazole-4-carboxylate Openeye Name: ethyl 1-[4-[2-(acetamidomethyl)-5-oxo-isoxazol-4-yl]phenyl]pyrazole-4-carboxylate CAS Name: 1-[4-[2-(acetamidomethyl)-5-oxo-4-isoxazolyl]phenyl]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-[2-(acetamidomethyl)-5-oxo-1,2-oxazol-4-yl]phenyl]pyrazole-4-carboxylate Traditional Name: 1-[4-[2-(acetamidomethyl)-5-keto-3-isoxazolin-4-yl]phenyl]pyrazole-4-carboxylic acid ethyl ester Formula: C18H18N4O5 MolecularWeight: 370.35932

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(N=C1)C2=CC=C(C=C2)C3=CN(OC3=O)CNC(=O)C

Isomeric SMILES

CCOC(=O)C1=CN(N=C1)C2=CC=C(C=C2)C3=CN(OC3=O)CNC(=O)C

InChI

InChI=1S/C18H18N4O5/c1-3-26-17(24)14-8-20-22(9-14)15-6-4-13(5-7-15)16-10-21(27-18(16)25)11-19-12(2)23/h4-10H,3,11H2,1-2H3,(H,19,23)