[2-[3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl] 4-methylsulfonyl-3-nitro-benzoate

Systemtic Name: [2-[3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl] 4-methylsulfonyl-3-nitro-benzoate Openeye Name: [2-[3-(2-furyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxo-ethyl] 4-methylsulfonyl-3-nitro-benzoate CAS Name: 4-methylsulfonyl-3-nitrobenzoic acid [2-[3-(2-furanyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl] ester IUPAC Name: [2-[3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 4-methylsulfonyl-3-nitrobenzoate Traditional Name: 4-mesyl-3-nitro-benzoic acid [2-[5-(2-furyl)-3-(4-methoxyphenyl)-2-pyrazolin-1-yl]-2-keto-ethyl] ester Formula: C24H21N3O9S MolecularWeight: 527.50324

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN(C(C2)C3=CC=CO3)C(=O)COC(=O)C4=CC(=C(C=C4)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN(C(C2)C3=CC=CO3)C(=O)COC(=O)C4=CC(=C(C=C4)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C24H21N3O9S/c1-34-17-8-5-15(6-9-17)18-13-19(21-4-3-11-35-21)26(25-18)23(28)14-36-24(29)16-7-10-22(37(2,32)33)20(12-16)27(30)31/h3-12,19H,13-14H2,1-2H3