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

Systemtic Name: 4-(tert-butylamino)-N-(1H-indol-4-yl)-5-nitro-2-oxidanyl-3-propoxy-benzamide Openeye Name: 4-(tert-butylamino)-2-hydroxy-N-(1H-indol-4-yl)-5-nitro-3-propoxy-benzamide CAS Name: 4-(tert-butylamino)-2-hydroxy-N-(1H-indol-4-yl)-5-nitro-3-propoxybenzamide IUPAC Name: 4-(tert-butylamino)-2-hydroxy-N-(1H-indol-4-yl)-5-nitro-3-propoxybenzamide Traditional Name: 4-(tert-butylamino)-2-hydroxy-N-(1H-indol-4-yl)-5-nitro-3-propoxy-benzamide Formula: C22H26N4O5 MolecularWeight: 426.46564

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C(=CC(=C1NC(C)(C)C)[N+](=O)[O-])C(=O)NC2=CC=CC3=C2C=CN3)O

Isomeric SMILES

CCCOC1=C(C(=CC(=C1NC(C)(C)C)[N+](=O)[O-])C(=O)NC2=CC=CC3=C2C=CN3)O

InChI

InChI=1S/C22H26N4O5/c1-5-11-31-20-18(25-22(2,3)4)17(26(29)30)12-14(19(20)27)21(28)24-16-8-6-7-15-13(16)9-10-23-15/h6-10,12,23,25,27H,5,11H2,1-4H3,(H,24,28)