(3-nitrophenyl) 1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxylate

Systemtic Name: (3-nitrophenyl) 1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxylate Openeye Name: (3-nitrophenyl) 1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxylate CAS Name: 1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxylic acid (3-nitrophenyl) ester IUPAC Name: (3-nitrophenyl) 1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxylate Traditional Name: 1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxylic acid (3-nitrophenyl) ester Formula: C20H16FN3O4 MolecularWeight: 381.357143

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H16FN3O4/c21-13-8-10-14(11-9-13)23-18-7-2-1-6-17(18)19(22-23)20(25)28-16-5-3-4-15(12-16)24(26)27/h3-5,8-12H,1-2,6-7H2