tert-butyl (3R)-3-[(1S)-1-(4-bromophenyl)-2-nitro-ethyl]-3-methyl-2-oxidanylidene-indole-1-carboxylate

Systemtic Name: tert-butyl (3R)-3-[(1S)-1-(4-bromophenyl)-2-nitro-ethyl]-3-methyl-2-oxidanylidene-indole-1-carboxylate Openeye Name: tert-butyl (3R)-3-[(1S)-1-(4-bromophenyl)-2-nitro-ethyl]-3-methyl-2-oxo-indoline-1-carboxylate CAS Name: (3R)-3-[(1S)-1-(4-bromophenyl)-2-nitroethyl]-3-methyl-2-oxo-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (3R)-3-[(1S)-1-(4-bromophenyl)-2-nitroethyl]-3-methyl-2-oxoindole-1-carboxylate Traditional Name: (3R)-3-[(1S)-1-(4-bromophenyl)-2-nitro-ethyl]-2-keto-3-methyl-indoline-1-carboxylic acid tert-butyl ester Formula: C22H23BrN2O5 MolecularWeight: 475.33242

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=CC=CC=C2N(C1=O)C(=O)OC(C)(C)C)C(C[N+](=O)[O-])C3=CC=C(C=C3)Br

Isomeric SMILES

C[C@]1(C2=CC=CC=C2N(C1=O)C(=O)OC(C)(C)C)[C@@H](C[N+](=O)[O-])C3=CC=C(C=C3)Br

InChI

InChI=1S/C22H23BrN2O5/c1-21(2,3)30-20(27)25-18-8-6-5-7-16(18)22(4,19(25)26)17(13-24(28)29)14-9-11-15(23)12-10-14/h5-12,17H,13H2,1-4H3/t17-,22-/m0/s1