[1-[(4-bromophenyl)methyl]-5-nitro-2,3-dihydroindol-2-yl]methyl 2,2-dimethylpropanoate

Systemtic Name: [1-[(4-bromophenyl)methyl]-5-nitro-2,3-dihydroindol-2-yl]methyl 2,2-dimethylpropanoate Openeye Name: [1-[(4-bromophenyl)methyl]-5-nitro-indolin-2-yl]methyl 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [1-[(4-bromophenyl)methyl]-5-nitro-2,3-dihydroindol-2-yl]methyl ester IUPAC Name: [1-[(4-bromophenyl)methyl]-5-nitro-2,3-dihydroindol-2-yl]methyl 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [1-(4-bromobenzyl)-5-nitro-indolin-2-yl]methyl ester Formula: C21H23BrN2O4 MolecularWeight: 447.32232

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)OCC1CC2=C(N1CC3=CC=C(C=C3)Br)C=CC(=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C(=O)OCC1CC2=C(N1CC3=CC=C(C=C3)Br)C=CC(=C2)[N+](=O)[O-]

InChI

InChI=1S/C21H23BrN2O4/c1-21(2,3)20(25)28-13-18-11-15-10-17(24(26)27)8-9-19(15)23(18)12-14-4-6-16(22)7-5-14/h4-10,18H,11-13H2,1-3H3