ethyl 5-[[5-(3-bromophenyl)-5-methyl-2-oxidanylidene-oxolan-3-yl]amino]-1H-pyrazole-4-carboxylate

Systemtic Name: ethyl 5-[[5-(3-bromophenyl)-5-methyl-2-oxidanylidene-oxolan-3-yl]amino]-1H-pyrazole-4-carboxylate Openeye Name: ethyl 5-[[5-(3-bromophenyl)-5-methyl-2-oxo-tetrahydrofuran-3-yl]amino]-1H-pyrazole-4-carboxylate CAS Name: 5-[[5-(3-bromophenyl)-5-methyl-2-oxo-3-oxolanyl]amino]-1H-pyrazole-4-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[[5-(3-bromophenyl)-5-methyl-2-oxooxolan-3-yl]amino]-1H-pyrazole-4-carboxylate Traditional Name: 5-[[5-(3-bromophenyl)-2-keto-5-methyl-tetrahydrofuran-3-yl]amino]-1H-pyrazole-4-carboxylic acid ethyl ester Formula: C17H18BrN3O4 MolecularWeight: 408.24652

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NN=C1)NC2CC(OC2=O)(C)C3=CC(=CC=C3)Br

Isomeric SMILES

CCOC(=O)C1=C(NN=C1)NC2CC(OC2=O)(C)C3=CC(=CC=C3)Br

InChI

InChI=1S/C17H18BrN3O4/c1-3-24-15(22)12-9-19-21-14(12)20-13-8-17(2,25-16(13)23)10-5-4-6-11(18)7-10/h4-7,9,13H,3,8H2,1-2H3,(H2,19,20,21)