1-[5-(4-bromophenyl)-3-(4-nitrophenyl)-3,4-dihydropyrazol-2-yl]ethanone

Systemtic Name: 1-[5-(4-bromophenyl)-3-(4-nitrophenyl)-3,4-dihydropyrazol-2-yl]ethanone Openeye Name: 1-[5-(4-bromophenyl)-3-(4-nitrophenyl)-3,4-dihydropyrazol-2-yl]ethanone CAS Name: 1-[5-(4-bromophenyl)-3-(4-nitrophenyl)-3,4-dihydropyrazol-2-yl]ethanone IUPAC Name: 1-[5-(4-bromophenyl)-3-(4-nitrophenyl)-3,4-dihydropyrazol-2-yl]ethanone Traditional Name: 1-[3-(4-bromophenyl)-5-(4-nitrophenyl)-2-pyrazolin-1-yl]ethanone Formula: C17H14BrN3O3 MolecularWeight: 388.21536

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C(CC(=N1)C2=CC=C(C=C2)Br)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(=O)N1C(CC(=N1)C2=CC=C(C=C2)Br)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H14BrN3O3/c1-11(22)20-17(13-4-8-15(9-5-13)21(23)24)10-16(19-20)12-2-6-14(18)7-3-12/h2-9,17H,10H2,1H3