4-[(S)-(3-bromophenyl)-(3-methyl-5-oxidanylidene-1,2-dihydropyrazol-4-yl)methyl]-3-methyl-2H-1,2-oxazol-5-one

Systemtic Name: 4-[(S)-(3-bromophenyl)-(3-methyl-5-oxidanylidene-1,2-dihydropyrazol-4-yl)methyl]-3-methyl-2H-1,2-oxazol-5-one Openeye Name: 4-[(S)-(3-bromophenyl)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-3-methyl-2H-isoxazol-5-one CAS Name: 4-[(S)-(3-bromophenyl)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-3-methyl-2H-isoxazol-5-one IUPAC Name: 4-[(S)-(3-bromophenyl)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-3-methyl-2H-1,2-oxazol-5-one Traditional Name: 4-[(S)-(3-bromophenyl)-(3-keto-5-methyl-3-pyrazolin-4-yl)methyl]-3-methyl-3-isoxazolin-5-one Formula: C15H14BrN3O3 MolecularWeight: 364.19396

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)NN1)C(C2=CC(=CC=C2)Br)C3=C(NOC3=O)C

Isomeric SMILES

CC1=C(C(=O)NN1)[C@H](C2=CC(=CC=C2)Br)C3=C(NOC3=O)C

InChI

InChI=1S/C15H14BrN3O3/c1-7-11(14(20)18-17-7)13(9-4-3-5-10(16)6-9)12-8(2)19-22-15(12)21/h3-6,13,19H,1-2H3,(H2,17,18,20)/t13-/m0/s1