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

Systemtic Name: (E)-4-[(3S)-3-(3-nitrophenyl)-5-phenyl-1,3-dihydropyrazol-2-yl]pent-3-en-2-one Openeye Name: (E)-4-[(3S)-3-(3-nitrophenyl)-5-phenyl-1,3-dihydropyrazol-2-yl]pent-3-en-2-one CAS Name: (E)-4-[(3S)-3-(3-nitrophenyl)-5-phenyl-1,3-dihydropyrazol-2-yl]-3-penten-2-one IUPAC Name: (E)-4-[(3S)-3-(3-nitrophenyl)-5-phenyl-1,3-dihydropyrazol-2-yl]pent-3-en-2-one Traditional Name: (E)-4-[(5S)-5-(3-nitrophenyl)-3-phenyl-3-pyrazolin-1-yl]pent-3-en-2-one Formula: C20H19N3O3 MolecularWeight: 349.38316

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19N3O3/c1-14(11-15(2)24)22-20(17-9-6-10-18(12-17)23(25)26)13-19(21-22)16-7-4-3-5-8-16/h3-13,20-21H,1-2H3/b14-11+/t20-/m0/s1