(2-morpholin-4-yl-2-oxidanylidene-ethyl) 3-(4-bromophenyl)-1H-pyrazole-5-carboxylate

Systemtic Name: (2-morpholin-4-yl-2-oxidanylidene-ethyl) 3-(4-bromophenyl)-1H-pyrazole-5-carboxylate Openeye Name: (2-morpholino-2-oxo-ethyl) 3-(4-bromophenyl)-1H-pyrazole-5-carboxylate CAS Name: 3-(4-bromophenyl)-1H-pyrazole-5-carboxylic acid [2-(4-morpholinyl)-2-oxoethyl] ester IUPAC Name: (2-morpholin-4-yl-2-oxoethyl) 3-(4-bromophenyl)-1H-pyrazole-5-carboxylate Traditional Name: 3-(4-bromophenyl)-1H-pyrazole-5-carboxylic acid (2-keto-2-morpholino-ethyl) ester Formula: C16H16BrN3O4 MolecularWeight: 394.21994

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=O)COC(=O)C2=CC(=NN2)C3=CC=C(C=C3)Br

Isomeric SMILES

C1COCCN1C(=O)COC(=O)C2=CC(=NN2)C3=CC=C(C=C3)Br

InChI

InChI=1S/C16H16BrN3O4/c17-12-3-1-11(2-4-12)13-9-14(19-18-13)16(22)24-10-15(21)20-5-7-23-8-6-20/h1-4,9H,5-8,10H2,(H,18,19)