methyl 3-(tert-butylcarbamoyl)-5-nitro-1-oxidanyl-indole-2-carboxylate

Systemtic Name: methyl 3-(tert-butylcarbamoyl)-5-nitro-1-oxidanyl-indole-2-carboxylate Openeye Name: methyl 3-(tert-butylcarbamoyl)-1-hydroxy-5-nitro-indole-2-carboxylate CAS Name: 3-[(tert-butylamino)-oxomethyl]-1-hydroxy-5-nitro-2-indolecarboxylic acid methyl ester IUPAC Name: methyl 3-(tert-butylcarbamoyl)-1-hydroxy-5-nitroindole-2-carboxylate Traditional Name: 3-(tert-butylcarbamoyl)-1-hydroxy-5-nitro-indole-2-carboxylic acid methyl ester Formula: C15H17N3O6 MolecularWeight: 335.31198

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C1=C(N(C2=C1C=C(C=C2)[N+](=O)[O-])O)C(=O)OC

Isomeric SMILES

CC(C)(C)NC(=O)C1=C(N(C2=C1C=C(C=C2)[N+](=O)[O-])O)C(=O)OC

InChI

InChI=1S/C15H17N3O6/c1-15(2,3)16-13(19)11-9-7-8(18(22)23)5-6-10(9)17(21)12(11)14(20)24-4/h5-7,21H,1-4H3,(H,16,19)