ethyl 1-[2-fluoranyl-4-(phenylmethoxycarbonylamino)phenyl]pyrazole-4-carboxylate

Systemtic Name: ethyl 1-[2-fluoranyl-4-(phenylmethoxycarbonylamino)phenyl]pyrazole-4-carboxylate Openeye Name: ethyl 1-[4-(benzyloxycarbonylamino)-2-fluoro-phenyl]pyrazole-4-carboxylate CAS Name: 1-[2-fluoro-4-(phenylmethoxycarbonylamino)phenyl]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-fluoro-4-(phenylmethoxycarbonylamino)phenyl]pyrazole-4-carboxylate Traditional Name: 1-[4-(benzyloxycarbonylamino)-2-fluoro-phenyl]pyrazole-4-carboxylic acid ethyl ester Formula: C20H18FN3O4 MolecularWeight: 383.373023

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(N=C1)C2=C(C=C(C=C2)NC(=O)OCC3=CC=CC=C3)F

Isomeric SMILES

CCOC(=O)C1=CN(N=C1)C2=C(C=C(C=C2)NC(=O)OCC3=CC=CC=C3)F

InChI

InChI=1S/C20H18FN3O4/c1-2-27-19(25)15-11-22-24(12-15)18-9-8-16(10-17(18)21)23-20(26)28-13-14-6-4-3-5-7-14/h3-12H,2,13H2,1H3,(H,23,26)