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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14BrN3O3/c1-11(22)20-17(12-5-7-14(18)8-6-12)10-16(19-20)13-3-2-4-15(9-13)21(23)24/h2-10,17,19H,1H3/t17-/m0/s1