2-[3-(tert-butylamino)-2-oxidanyl-propoxy]-6-nitro-benzenecarbonitrile

Systemtic Name: 2-[3-(tert-butylamino)-2-oxidanyl-propoxy]-6-nitro-benzenecarbonitrile Openeye Name: 2-[3-(tert-butylamino)-2-hydroxy-propoxy]-6-nitro-benzonitrile CAS Name: 2-[3-(tert-butylamino)-2-hydroxypropoxy]-6-nitrobenzonitrile IUPAC Name: 2-[3-(tert-butylamino)-2-hydroxypropoxy]-6-nitrobenzonitrile Traditional Name: 2-[3-(tert-butylamino)-2-hydroxy-propoxy]-6-nitro-benzonitrile Formula: C14H19N3O4 MolecularWeight: 293.31836

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NCC(COC1=CC=CC(=C1C#N)[N+](=O)[O-])O

Isomeric SMILES

CC(C)(C)NCC(COC1=CC=CC(=C1C#N)[N+](=O)[O-])O

InChI

InChI=1S/C14H19N3O4/c1-14(2,3)16-8-10(18)9-21-13-6-4-5-12(17(19)20)11(13)7-15/h4-6,10,16,18H,8-9H2,1-3H3