2-[3-(tert-butylamino)-2-oxidanyl-propoxy]-N-(1H-indol-4-yl)-5-nitro-benzamide hydrochloride

Systemtic Name: 2-[3-(tert-butylamino)-2-oxidanyl-propoxy]-N-(1H-indol-4-yl)-5-nitro-benzamide hydrochloride Openeye Name: 2-[3-(tert-butylamino)-2-hydroxy-propoxy]-N-(1H-indol-4-yl)-5-nitro-benzamide hydrochloride CAS Name: 2-[3-(tert-butylamino)-2-hydroxypropoxy]-N-(1H-indol-4-yl)-5-nitrobenzamide hydrochloride IUPAC Name: 2-[3-(tert-butylamino)-2-hydroxypropoxy]-N-(1H-indol-4-yl)-5-nitrobenzamide hydrochloride Traditional Name: 2-[3-(tert-butylamino)-2-hydroxy-propoxy]-N-(1H-indol-4-yl)-5-nitro-benzamide hydrochloride Formula: C22H27ClN4O5 MolecularWeight: 462.92658

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NCC(COC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)NC2=CC=CC3=C2C=CN3)O.Cl

Isomeric SMILES

CC(C)(C)NCC(COC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)NC2=CC=CC3=C2C=CN3)O.Cl

InChI

InChI=1S/C22H26N4O5.ClH/c1-22(2,3)24-12-15(27)13-31-20-8-7-14(26(29)30)11-17(20)21(28)25-19-6-4-5-18-16(19)9-10-23-18;/h4-11,15,23-24,27H,12-13H2,1-3H3,(H,25,28);1H