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

Systemtic Name: [2-[3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl] 3-methyl-2-nitro-benzoate Openeye Name: [2-[3-(2-furyl)-5-(p-tolyl)-3,4-dihydropyrazol-2-yl]-2-oxo-ethyl] 3-methyl-2-nitro-benzoate CAS Name: 3-methyl-2-nitrobenzoic acid [2-[3-(2-furanyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl] ester IUPAC Name: [2-[3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 3-methyl-2-nitrobenzoate Traditional Name: 3-methyl-2-nitro-benzoic acid [2-[5-(2-furyl)-3-(p-tolyl)-2-pyrazolin-1-yl]-2-keto-ethyl] ester Formula: C24H21N3O6 MolecularWeight: 447.44004

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C(C2)C3=CC=CO3)C(=O)COC(=O)C4=C(C(=CC=C4)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C(C2)C3=CC=CO3)C(=O)COC(=O)C4=C(C(=CC=C4)C)[N+](=O)[O-]

InChI

InChI=1S/C24H21N3O6/c1-15-8-10-17(11-9-15)19-13-20(21-7-4-12-32-21)26(25-19)22(28)14-33-24(29)18-6-3-5-16(2)23(18)27(30)31/h3-12,20H,13-14H2,1-2H3