4-nitro-2-[(3R)-2-(phenylcarbonyl)-5-thiophen-2-yl-3,4-dihydropyrazol-3-yl]phenolate

Systemtic Name: 4-nitro-2-[(3R)-2-(phenylcarbonyl)-5-thiophen-2-yl-3,4-dihydropyrazol-3-yl]phenolate Openeye Name: 2-[(3R)-2-benzoyl-5-(2-thienyl)-3,4-dihydropyrazol-3-yl]-4-nitro-phenolate CAS Name: 2-[(3R)-2-benzoyl-5-thiophen-2-yl-3,4-dihydropyrazol-3-yl]-4-nitrophenolate IUPAC Name: 2-[(3R)-2-benzoyl-5-thiophen-2-yl-3,4-dihydropyrazol-3-yl]-4-nitrophenolate Traditional Name: 2-[(3R)-2-benzoyl-5-(2-thienyl)-2-pyrazolin-3-yl]-4-nitro-phenolate Formula: C20H14N3O4S- MolecularWeight: 392.40786

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(N=C1C2=CC=CS2)C(=O)C3=CC=CC=C3)C4=C(C=CC(=C4)[N+](=O)[O-])[O-]

Isomeric SMILES

C1[C@@H](N(N=C1C2=CC=CS2)C(=O)C3=CC=CC=C3)C4=C(C=CC(=C4)[N+](=O)[O-])[O-]

InChI

InChI=1S/C20H15N3O4S/c24-18-9-8-14(23(26)27)11-15(18)17-12-16(19-7-4-10-28-19)21-22(17)20(25)13-5-2-1-3-6-13/h1-11,17,24H,12H2/p-1/t17-/m1/s1