(2-chloranyl-4-nitro-phenyl) 1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxylate

Systemtic Name: (2-chloranyl-4-nitro-phenyl) 1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxylate Openeye Name: (2-chloro-4-nitro-phenyl) 1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxylate CAS Name: 1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxylic acid (2-chloro-4-nitrophenyl) ester IUPAC Name: (2-chloro-4-nitrophenyl) 1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxylate Traditional Name: 1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxylic acid (2-chloro-4-nitro-phenyl) ester Formula: C20H15ClFN3O4 MolecularWeight: 415.802203

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=NN2C3=CC=C(C=C3)F)C(=O)OC4=C(C=C(C=C4)[N+](=O)[O-])Cl

Isomeric SMILES

C1CCC2=C(C1)C(=NN2C3=CC=C(C=C3)F)C(=O)OC4=C(C=C(C=C4)[N+](=O)[O-])Cl

InChI

InChI=1S/C20H15ClFN3O4/c21-16-11-14(25(27)28)9-10-18(16)29-20(26)19-15-3-1-2-4-17(15)24(23-19)13-7-5-12(22)6-8-13/h5-11H,1-4H2