tert-butyl 4-nitro-5-(2-phenylmethoxyethanoylamino)indole-1-carboxylate

Systemtic Name: tert-butyl 4-nitro-5-(2-phenylmethoxyethanoylamino)indole-1-carboxylate Openeye Name: tert-butyl 5-[(2-benzyloxyacetyl)amino]-4-nitro-indole-1-carboxylate CAS Name: 4-nitro-5-[(1-oxo-2-phenylmethoxyethyl)amino]-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-nitro-5-[(2-phenylmethoxyacetyl)amino]indole-1-carboxylate Traditional Name: 5-[(2-benzoxyacetyl)amino]-4-nitro-indole-1-carboxylic acid tert-butyl ester Formula: C22H23N3O6 MolecularWeight: 425.43452

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C=CC2=C1C=CC(=C2[N+](=O)[O-])NC(=O)COCC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)N1C=CC2=C1C=CC(=C2[N+](=O)[O-])NC(=O)COCC3=CC=CC=C3

InChI

InChI=1S/C22H23N3O6/c1-22(2,3)31-21(27)24-12-11-16-18(24)10-9-17(20(16)25(28)29)23-19(26)14-30-13-15-7-5-4-6-8-15/h4-12H,13-14H2,1-3H3,(H,23,26)