tert-butyl 3-(hydroxymethyl)-5-nitro-indole-1-carboxylate

Systemtic Name: tert-butyl 3-(hydroxymethyl)-5-nitro-indole-1-carboxylate Openeye Name: tert-butyl 3-(hydroxymethyl)-5-nitro-indole-1-carboxylate CAS Name: 3-(hydroxymethyl)-5-nitro-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-(hydroxymethyl)-5-nitroindole-1-carboxylate Traditional Name: 3-methylol-5-nitro-indole-1-carboxylic acid tert-butyl ester Formula: C14H16N2O5 MolecularWeight: 292.28724

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C=C(C2=C1C=CC(=C2)[N+](=O)[O-])CO

Isomeric SMILES

CC(C)(C)OC(=O)N1C=C(C2=C1C=CC(=C2)[N+](=O)[O-])CO

InChI

InChI=1S/C14H16N2O5/c1-14(2,3)21-13(18)15-7-9(8-17)11-6-10(16(19)20)4-5-12(11)15/h4-7,17H,8H2,1-3H3