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

Systemtic Name: 1-[3-(4-bromophenyl)-5-(3-nitrophenyl)-3,4-dihydropyrazol-2-yl]propan-1-one Openeye Name: 1-[3-(4-bromophenyl)-5-(3-nitrophenyl)-3,4-dihydropyrazol-2-yl]propan-1-one CAS Name: 1-[3-(4-bromophenyl)-5-(3-nitrophenyl)-3,4-dihydropyrazol-2-yl]-1-propanone IUPAC Name: 1-[3-(4-bromophenyl)-5-(3-nitrophenyl)-3,4-dihydropyrazol-2-yl]propan-1-one Traditional Name: 1-[5-(4-bromophenyl)-3-(3-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(=CC=C2)[N+](=O)[O-])C3=CC=C(C=C3)Br

Isomeric SMILES

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

InChI

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