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

Systemtic Name: 1-[(3S)-3-(2-nitrophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]butan-1-one Openeye Name: 1-[(3S)-3-(2-nitrophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]butan-1-one CAS Name: 1-[(3S)-3-(2-nitrophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-1-butanone IUPAC Name: 1-[(3S)-3-(2-nitrophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]butan-1-one Traditional Name: 1-[(5S)-5-(2-nitrophenyl)-3-phenyl-2-pyrazolin-1-yl]butan-1-one Formula: C19H19N3O3 MolecularWeight: 337.37246

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19N3O3/c1-2-8-19(23)21-18(15-11-6-7-12-17(15)22(24)25)13-16(20-21)14-9-4-3-5-10-14/h3-7,9-12,18H,2,8,13H2,1H3/t18-/m0/s1