ethyl 5-[[3-(3-bromophenyl)-4,5-dihydro-1,2-oxazol-5-yl]carbonylamino]-1-methyl-pyrazole-4-carboxylate

Systemtic Name: ethyl 5-[[3-(3-bromophenyl)-4,5-dihydro-1,2-oxazol-5-yl]carbonylamino]-1-methyl-pyrazole-4-carboxylate Openeye Name: ethyl 5-[[3-(3-bromophenyl)-4,5-dihydroisoxazole-5-carbonyl]amino]-1-methyl-pyrazole-4-carboxylate CAS Name: 5-[[[3-(3-bromophenyl)-4,5-dihydroisoxazol-5-yl]-oxomethyl]amino]-1-methyl-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[[3-(3-bromophenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]amino]-1-methylpyrazole-4-carboxylate Traditional Name: 5-[[3-(3-bromophenyl)-2-isoxazoline-5-carbonyl]amino]-1-methyl-pyrazole-4-carboxylic acid ethyl ester Formula: C17H17BrN4O4 MolecularWeight: 421.24528

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C)NC(=O)C2CC(=NO2)C3=CC(=CC=C3)Br

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C)NC(=O)C2CC(=NO2)C3=CC(=CC=C3)Br

InChI

InChI=1S/C17H17BrN4O4/c1-3-25-17(24)12-9-19-22(2)15(12)20-16(23)14-8-13(21-26-14)10-5-4-6-11(18)7-10/h4-7,9,14H,3,8H2,1-2H3,(H,20,23)