tert-butyl 5-nitro-3-(2-phenylethanoylamino)indazole-1-carboxylate

Systemtic Name: tert-butyl 5-nitro-3-(2-phenylethanoylamino)indazole-1-carboxylate Openeye Name: tert-butyl 5-nitro-3-[(2-phenylacetyl)amino]indazole-1-carboxylate CAS Name: 5-nitro-3-[(1-oxo-2-phenylethyl)amino]-1-indazolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5-nitro-3-[(2-phenylacetyl)amino]indazole-1-carboxylate Traditional Name: 5-nitro-3-[(2-phenylacetyl)amino]indazole-1-carboxylic acid tert-butyl ester Formula: C20H20N4O5 MolecularWeight: 396.3966

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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)NC(=O)CC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)N1C2=C(C=C(C=C2)[N+](=O)[O-])C(=N1)NC(=O)CC3=CC=CC=C3

InChI

InChI=1S/C20H20N4O5/c1-20(2,3)29-19(26)23-16-10-9-14(24(27)28)12-15(16)18(22-23)21-17(25)11-13-7-5-4-6-8-13/h4-10,12H,11H2,1-3H3,(H,21,22,25)