2,3-dimethoxy-6-[(3R)-2-(4-nitrophenyl)-5-phenyl-3,4-dihydropyrazol-3-yl]benzoic acid

Systemtic Name: 2,3-dimethoxy-6-[(3R)-2-(4-nitrophenyl)-5-phenyl-3,4-dihydropyrazol-3-yl]benzoic acid Openeye Name: 2,3-dimethoxy-6-[(3R)-2-(4-nitrophenyl)-5-phenyl-3,4-dihydropyrazol-3-yl]benzoic acid CAS Name: 2,3-dimethoxy-6-[(3R)-2-(4-nitrophenyl)-5-phenyl-3,4-dihydropyrazol-3-yl]benzoic acid IUPAC Name: 2,3-dimethoxy-6-[(3R)-2-(4-nitrophenyl)-5-phenyl-3,4-dihydropyrazol-3-yl]benzoic acid Traditional Name: 2,3-dimethoxy-6-[(3R)-2-(4-nitrophenyl)-5-phenyl-2-pyrazolin-3-yl]benzoic acid Formula: C24H21N3O6 MolecularWeight: 447.44004

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)C2CC(=NN2C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4)C(=O)O)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)[C@H]2CC(=NN2C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4)C(=O)O)OC

InChI

InChI=1S/C24H21N3O6/c1-32-21-13-12-18(22(24(28)29)23(21)33-2)20-14-19(15-6-4-3-5-7-15)25-26(20)16-8-10-17(11-9-16)27(30)31/h3-13,20H,14H2,1-2H3,(H,28,29)/t20-/m1/s1