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

Systemtic Name: 2-[(3R)-2-ethanoyl-5-thiophen-2-yl-3,4-dihydropyrazol-3-yl]-4-nitro-phenolate Openeye Name: 2-[(3R)-2-acetyl-5-(2-thienyl)-3,4-dihydropyrazol-3-yl]-4-nitro-phenolate CAS Name: 2-[(3R)-2-acetyl-5-thiophen-2-yl-3,4-dihydropyrazol-3-yl]-4-nitrophenolate IUPAC Name: 2-[(3R)-2-acetyl-5-thiophen-2-yl-3,4-dihydropyrazol-3-yl]-4-nitrophenolate Traditional Name: 2-[(3R)-2-acetyl-5-(2-thienyl)-2-pyrazolin-3-yl]-4-nitro-phenolate Formula: C15H12N3O4S- MolecularWeight: 330.33848

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C(CC(=N1)C2=CC=CS2)C3=C(C=CC(=C3)[N+](=O)[O-])[O-]

Isomeric SMILES

CC(=O)N1[C@H](CC(=N1)C2=CC=CS2)C3=C(C=CC(=C3)[N+](=O)[O-])[O-]

InChI

InChI=1S/C15H13N3O4S/c1-9(19)17-13(8-12(16-17)15-3-2-6-23-15)11-7-10(18(21)22)4-5-14(11)20/h2-7,13,20H,8H2,1H3/p-1/t13-/m1/s1