4-[3-(3-nitrophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[3-(3-nitrophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[3-(3-nitrophenyl)-5-(2-thienyl)-3,4-dihydropyrazol-2-yl]-4-oxo-butanoic acid CAS Name: 4-[3-(3-nitrophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid IUPAC Name: 4-[3-(3-nitrophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid Traditional Name: 4-keto-4-[5-(3-nitrophenyl)-3-(2-thienyl)-2-pyrazolin-1-yl]butyric acid Formula: C17H15N3O5S MolecularWeight: 373.3831

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15N3O5S/c21-16(6-7-17(22)23)19-14(10-13(18-19)15-5-2-8-26-15)11-3-1-4-12(9-11)20(24)25/h1-5,8-9,14H,6-7,10H2,(H,22,23)