4-nitro-2-[(3S)-2-propanoyl-5-thiophen-2-yl-1,3-dihydropyrazol-3-yl]phenolate

Systemtic Name: 4-nitro-2-[(3S)-2-propanoyl-5-thiophen-2-yl-1,3-dihydropyrazol-3-yl]phenolate Openeye Name: 4-nitro-2-[(3S)-2-propanoyl-5-(2-thienyl)-1,3-dihydropyrazol-3-yl]phenolate CAS Name: 4-nitro-2-[(3S)-2-(1-oxopropyl)-5-thiophen-2-yl-1,3-dihydropyrazol-3-yl]phenolate IUPAC Name: 4-nitro-2-[(3S)-2-propanoyl-5-thiophen-2-yl-1,3-dihydropyrazol-3-yl]phenolate Traditional Name: 4-nitro-2-[(3S)-2-propionyl-5-(2-thienyl)-3-pyrazolin-3-yl]phenolate Formula: C16H14N3O4S- MolecularWeight: 344.36506

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15N3O4S/c1-2-16(21)18-13(9-12(17-18)15-4-3-7-24-15)11-8-10(19(22)23)5-6-14(11)20/h3-9,13,17,20H,2H2,1H3/p-1/t13-/m0/s1