1-[(3S)-3-(4-bromophenyl)-5-ethyl-3-oxidanyl-1H-pyrazol-2-yl]-2-(4-nitrophenyl)ethanone

Systemtic Name: 1-[(3S)-3-(4-bromophenyl)-5-ethyl-3-oxidanyl-1H-pyrazol-2-yl]-2-(4-nitrophenyl)ethanone Openeye Name: 1-[(3S)-3-(4-bromophenyl)-5-ethyl-3-hydroxy-1H-pyrazol-2-yl]-2-(4-nitrophenyl)ethanone CAS Name: 1-[(3S)-3-(4-bromophenyl)-5-ethyl-3-hydroxy-1H-pyrazol-2-yl]-2-(4-nitrophenyl)ethanone IUPAC Name: 1-[(3S)-3-(4-bromophenyl)-5-ethyl-3-hydroxy-1H-pyrazol-2-yl]-2-(4-nitrophenyl)ethanone Traditional Name: 1-[(5S)-5-(4-bromophenyl)-3-ethyl-5-hydroxy-3-pyrazolin-1-yl]-2-(4-nitrophenyl)ethanone Formula: C19H18BrN3O4 MolecularWeight: 432.26792

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(N(N1)C(=O)CC2=CC=C(C=C2)[N+](=O)[O-])(C3=CC=C(C=C3)Br)O

Isomeric SMILES

CCC1=C[C@@](N(N1)C(=O)CC2=CC=C(C=C2)[N+](=O)[O-])(C3=CC=C(C=C3)Br)O

InChI

InChI=1S/C19H18BrN3O4/c1-2-16-12-19(25,14-5-7-15(20)8-6-14)22(21-16)18(24)11-13-3-9-17(10-4-13)23(26)27/h3-10,12,21,25H,2,11H2,1H3/t19-/m0/s1