tert-butyl 5-nitro-3-phenyl-indazole-1-carboxylate

Systemtic Name: tert-butyl 5-nitro-3-phenyl-indazole-1-carboxylate Openeye Name: tert-butyl 5-nitro-3-phenyl-indazole-1-carboxylate CAS Name: 5-nitro-3-phenyl-1-indazolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5-nitro-3-phenylindazole-1-carboxylate Traditional Name: 5-nitro-3-phenyl-indazole-1-carboxylic acid tert-butyl ester Formula: C18H17N3O4 MolecularWeight: 339.34528

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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

Isomeric SMILES

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

InChI

InChI=1S/C18H17N3O4/c1-18(2,3)25-17(22)20-15-10-9-13(21(23)24)11-14(15)16(19-20)12-7-5-4-6-8-12/h4-11H,1-3H3