(2Z,3R,4R)-4-benzamido-3-phenyl-2-propylidene-3,4-dihydropyrazol-2-ium-5-olate

Systemtic Name: (2Z,3R,4R)-4-benzamido-3-phenyl-2-propylidene-3,4-dihydropyrazol-2-ium-5-olate Openeye Name: (2Z,3R,4R)-4-benzamido-3-phenyl-2-propylidene-3,4-dihydropyrazol-2-ium-5-olate CAS Name: (2Z,3R,4R)-4-benzamido-3-phenyl-2-propylidene-3,4-dihydropyrazol-2-ium-5-olate IUPAC Name: (2Z,3R,4R)-4-benzamido-3-phenyl-2-propylidene-3,4-dihydropyrazol-2-ium-5-olate Traditional Name: (1Z,4R,5R)-4-benzamido-5-phenyl-1-propylidene-2-pyrazolin-1-ium-3-olate Formula: C19H19N3O2 MolecularWeight: 321.37306

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Descriptors Computed from Structure

Canonical SMILES:

CCC=[N+]1C(C(C(=N1)[O-])NC(=O)C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CC/C=[N+]\1/[C@@H]([C@H](C(=N1)[O-])NC(=O)C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C19H19N3O2/c1-2-13-22-17(14-9-5-3-6-10-14)16(19(24)21-22)20-18(23)15-11-7-4-8-12-15/h3-13,16-17H,2H2,1H3,(H-,20,21,23,24)/b22-13-/t16-,17-/m1/s1