2-[(3R)-2-ethanoyl-5-thiophen-2-yl-3,4-dihydropyrazol-3-yl]-4-methoxy-6-nitro-phenolate

Systemtic Name: 2-[(3R)-2-ethanoyl-5-thiophen-2-yl-3,4-dihydropyrazol-3-yl]-4-methoxy-6-nitro-phenolate Openeye Name: 2-[(3R)-2-acetyl-5-(2-thienyl)-3,4-dihydropyrazol-3-yl]-4-methoxy-6-nitro-phenolate CAS Name: 2-[(3R)-2-acetyl-5-thiophen-2-yl-3,4-dihydropyrazol-3-yl]-4-methoxy-6-nitrophenolate IUPAC Name: 2-[(3R)-2-acetyl-5-thiophen-2-yl-3,4-dihydropyrazol-3-yl]-4-methoxy-6-nitrophenolate Traditional Name: 2-[(3R)-2-acetyl-5-(2-thienyl)-2-pyrazolin-3-yl]-4-methoxy-6-nitro-phenolate Formula: C16H14N3O5S- MolecularWeight: 360.36446

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15N3O5S/c1-9(20)18-13(8-12(17-18)15-4-3-5-25-15)11-6-10(24-2)7-14(16(11)21)19(22)23/h3-7,13,21H,8H2,1-2H3/p-1/t13-/m1/s1