2-(1-azanyl-4,4-dimethyl-2-oxidanyl-pentoxy)-N-(1H-indol-4-yl)-5-nitro-benzamide

Systemtic Name: 2-(1-azanyl-4,4-dimethyl-2-oxidanyl-pentoxy)-N-(1H-indol-4-yl)-5-nitro-benzamide Openeye Name: 2-(1-amino-2-hydroxy-4,4-dimethyl-pentoxy)-N-(1H-indol-4-yl)-5-nitro-benzamide CAS Name: 2-(1-amino-2-hydroxy-4,4-dimethylpentoxy)-N-(1H-indol-4-yl)-5-nitrobenzamide IUPAC Name: 2-(1-amino-2-hydroxy-4,4-dimethylpentoxy)-N-(1H-indol-4-yl)-5-nitrobenzamide Traditional Name: 2-(1-amino-2-hydroxy-4,4-dimethyl-pentoxy)-N-(1H-indol-4-yl)-5-nitro-benzamide Formula: C22H26N4O5 MolecularWeight: 426.46564

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(C(N)OC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)NC2=CC=CC3=C2C=CN3)O

Isomeric SMILES

CC(C)(C)CC(C(N)OC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)NC2=CC=CC3=C2C=CN3)O

InChI

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