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

Systemtic Name: (2Z,3R,4R)-4-benzamido-2-(furan-2-ylmethylidene)-3-phenyl-3,4-dihydropyrazol-2-ium-5-olate Openeye Name: (2Z,3R,4R)-4-benzamido-2-(2-furylmethylene)-3-phenyl-3,4-dihydropyrazol-2-ium-5-olate CAS Name: (2Z,3R,4R)-4-benzamido-2-(2-furanylmethylidene)-3-phenyl-3,4-dihydropyrazol-2-ium-5-olate IUPAC Name: (2Z,3R,4R)-4-benzamido-2-(furan-2-ylmethylidene)-3-phenyl-3,4-dihydropyrazol-2-ium-5-olate Traditional Name: (1Z,4R,5R)-4-benzamido-1-(2-furfurylidene)-5-phenyl-2-pyrazolin-1-ium-3-olate Formula: C21H17N3O3 MolecularWeight: 359.37798

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2C(C(=N[N+]2=CC3=CC=CO3)[O-])NC(=O)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)[C@@H]\2[C@H](C(=N/[N+]2=C\C3=CC=CO3)[O-])NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C21H17N3O3/c25-20(16-10-5-2-6-11-16)22-18-19(15-8-3-1-4-9-15)24(23-21(18)26)14-17-12-7-13-27-17/h1-14,18-19H,(H-,22,23,25,26)/b24-14-/t18-,19-/m1/s1