tert-butyl 1-(hydroxymethyl)-5-nitro-1,2-dihydrobenzo[e]indole-3-carboxylate

Systemtic Name: tert-butyl 1-(hydroxymethyl)-5-nitro-1,2-dihydrobenzo[e]indole-3-carboxylate Openeye Name: tert-butyl 1-(hydroxymethyl)-5-nitro-1,2-dihydrobenzo[e]indole-3-carboxylate CAS Name: 1-(hydroxymethyl)-5-nitro-1,2-dihydrobenzo[e]indole-3-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-(hydroxymethyl)-5-nitro-1,2-dihydrobenzo[e]indole-3-carboxylate Traditional Name: 1-methylol-5-nitro-1,2-dihydrobenz[e]indole-3-carboxylic acid tert-butyl ester Formula: C18H20N2O5 MolecularWeight: 344.3618

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC(C2=C1C=C(C3=CC=CC=C32)[N+](=O)[O-])CO

Isomeric SMILES

CC(C)(C)OC(=O)N1CC(C2=C1C=C(C3=CC=CC=C32)[N+](=O)[O-])CO

InChI

InChI=1S/C18H20N2O5/c1-18(2,3)25-17(22)19-9-11(10-21)16-13-7-5-4-6-12(13)14(20(23)24)8-15(16)19/h4-8,11,21H,9-10H2,1-3H3