4-azanyl-2-tert-butyl-N-(1H-indol-4-yl)-3-nitro-6-oxidanyl-5-propoxy-benzamide

Systemtic Name: 4-azanyl-2-tert-butyl-N-(1H-indol-4-yl)-3-nitro-6-oxidanyl-5-propoxy-benzamide Openeye Name: 4-amino-2-tert-butyl-6-hydroxy-N-(1H-indol-4-yl)-3-nitro-5-propoxy-benzamide CAS Name: 4-amino-2-tert-butyl-6-hydroxy-N-(1H-indol-4-yl)-3-nitro-5-propoxybenzamide IUPAC Name: 4-amino-2-tert-butyl-6-hydroxy-N-(1H-indol-4-yl)-3-nitro-5-propoxybenzamide Traditional Name: 4-amino-2-tert-butyl-6-hydroxy-N-(1H-indol-4-yl)-3-nitro-5-propoxy-benzamide Formula: C22H26N4O5 MolecularWeight: 426.46564

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C(=C(C(=C1N)[N+](=O)[O-])C(C)(C)C)C(=O)NC2=CC=CC3=C2C=CN3)O

Isomeric SMILES

CCCOC1=C(C(=C(C(=C1N)[N+](=O)[O-])C(C)(C)C)C(=O)NC2=CC=CC3=C2C=CN3)O

InChI

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