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

Systemtic Name: N-[3-(tert-butylamino)-2-oxidanyl-propoxy]-N-(1H-indol-4-yl)-3-nitro-benzamide Openeye Name: N-[3-(tert-butylamino)-2-hydroxy-propoxy]-N-(1H-indol-4-yl)-3-nitro-benzamide CAS Name: N-[3-(tert-butylamino)-2-hydroxypropoxy]-N-(1H-indol-4-yl)-3-nitrobenzamide IUPAC Name: N-[3-(tert-butylamino)-2-hydroxypropoxy]-N-(1H-indol-4-yl)-3-nitrobenzamide Traditional Name: N-[3-(tert-butylamino)-2-hydroxy-propoxy]-N-(1H-indol-4-yl)-3-nitro-benzamide Formula: C22H26N4O5 MolecularWeight: 426.46564

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NCC(CON(C1=CC=CC2=C1C=CN2)C(=O)C3=CC(=CC=C3)[N+](=O)[O-])O

Isomeric SMILES

CC(C)(C)NCC(CON(C1=CC=CC2=C1C=CN2)C(=O)C3=CC(=CC=C3)[N+](=O)[O-])O

InChI

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