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

Systemtic Name: methyl 1-[2-fluoranyl-4-(phenylmethoxycarbonylamino)phenyl]pyrazole-4-carboxylate Openeye Name: methyl 1-[4-(benzyloxycarbonylamino)-2-fluoro-phenyl]pyrazole-4-carboxylate CAS Name: 1-[2-fluoro-4-(phenylmethoxycarbonylamino)phenyl]-4-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-fluoro-4-(phenylmethoxycarbonylamino)phenyl]pyrazole-4-carboxylate Traditional Name: 1-[4-(benzyloxycarbonylamino)-2-fluoro-phenyl]pyrazole-4-carboxylic acid methyl ester Formula: C19H16FN3O4 MolecularWeight: 369.346443

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H16FN3O4/c1-26-18(24)14-10-21-23(11-14)17-8-7-15(9-16(17)20)22-19(25)27-12-13-5-3-2-4-6-13/h2-11H,12H2,1H3,(H,22,25)