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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16BrN3O3/c1-2-18(23)21-17(13-4-3-5-15(10-13)22(24)25)11-16(20-21)12-6-8-14(19)9-7-12/h3-11,17,20H,2H2,1H3/t17-/m0/s1