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

Systemtic Name: 3-chloranyl-1-[(3S)-3-(3-nitrophenyl)-5-phenyl-1,3-dihydropyrazol-2-yl]propan-1-one Openeye Name: 3-chloro-1-[(3S)-3-(3-nitrophenyl)-5-phenyl-1,3-dihydropyrazol-2-yl]propan-1-one CAS Name: 3-chloro-1-[(3S)-3-(3-nitrophenyl)-5-phenyl-1,3-dihydropyrazol-2-yl]-1-propanone IUPAC Name: 3-chloro-1-[(3S)-3-(3-nitrophenyl)-5-phenyl-1,3-dihydropyrazol-2-yl]propan-1-one Traditional Name: 3-chloro-1-[(5S)-5-(3-nitrophenyl)-3-phenyl-3-pyrazolin-1-yl]propan-1-one Formula: C18H16ClN3O3 MolecularWeight: 357.79094

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(N(N2)C(=O)CCCl)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=C[C@H](N(N2)C(=O)CCCl)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H16ClN3O3/c19-10-9-18(23)21-17(14-7-4-8-15(11-14)22(24)25)12-16(20-21)13-5-2-1-3-6-13/h1-8,11-12,17,20H,9-10H2/t17-/m0/s1