tert-butyl 3-(3-fluorophenyl)-5-nitro-indazole-1-carboxylate

Systemtic Name: tert-butyl 3-(3-fluorophenyl)-5-nitro-indazole-1-carboxylate Openeye Name: tert-butyl 3-(3-fluorophenyl)-5-nitro-indazole-1-carboxylate CAS Name: 3-(3-fluorophenyl)-5-nitro-1-indazolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-(3-fluorophenyl)-5-nitroindazole-1-carboxylate Traditional Name: 3-(3-fluorophenyl)-5-nitro-indazole-1-carboxylic acid tert-butyl ester Formula: C18H16FN3O4 MolecularWeight: 357.335743

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C2=C(C=C(C=C2)[N+](=O)[O-])C(=N1)C3=CC(=CC=C3)F

Isomeric SMILES

CC(C)(C)OC(=O)N1C2=C(C=C(C=C2)[N+](=O)[O-])C(=N1)C3=CC(=CC=C3)F

InChI

InChI=1S/C18H16FN3O4/c1-18(2,3)26-17(23)21-15-8-7-13(22(24)25)10-14(15)16(20-21)11-5-4-6-12(19)9-11/h4-10H,1-3H3