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

Systemtic Name: 1-[5-(4-bromophenyl)-3-(4-nitrophenyl)-3,4-dihydropyrazol-2-yl]propan-1-one Openeye Name: 1-[5-(4-bromophenyl)-3-(4-nitrophenyl)-3,4-dihydropyrazol-2-yl]propan-1-one CAS Name: 1-[5-(4-bromophenyl)-3-(4-nitrophenyl)-3,4-dihydropyrazol-2-yl]-1-propanone IUPAC Name: 1-[5-(4-bromophenyl)-3-(4-nitrophenyl)-3,4-dihydropyrazol-2-yl]propan-1-one Traditional Name: 1-[3-(4-bromophenyl)-5-(4-nitrophenyl)-2-pyrazolin-1-yl]propan-1-one Formula: C18H16BrN3O3 MolecularWeight: 402.24194

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16BrN3O3/c1-2-18(23)21-17(13-5-9-15(10-6-13)22(24)25)11-16(20-21)12-3-7-14(19)8-4-12/h3-10,17H,2,11H2,1H3