N-[4-[3-(tert-butylamino)-2-oxidanyl-butoxy]-3-nitro-phenyl]propanamide

Systemtic Name: N-[4-[3-(tert-butylamino)-2-oxidanyl-butoxy]-3-nitro-phenyl]propanamide Openeye Name: N-[4-[3-(tert-butylamino)-2-hydroxy-butoxy]-3-nitro-phenyl]propanamide CAS Name: N-[4-[3-(tert-butylamino)-2-hydroxybutoxy]-3-nitrophenyl]propanamide IUPAC Name: N-[4-[3-(tert-butylamino)-2-hydroxybutoxy]-3-nitrophenyl]propanamide Traditional Name: N-[4-[3-(tert-butylamino)-2-hydroxy-butoxy]-3-nitro-phenyl]propionamide Formula: C17H27N3O5 MolecularWeight: 353.41338

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC(=C(C=C1)OCC(C(C)NC(C)(C)C)O)[N+](=O)[O-]

Isomeric SMILES

CCC(=O)NC1=CC(=C(C=C1)OCC(C(C)NC(C)(C)C)O)[N+](=O)[O-]

InChI

InChI=1S/C17H27N3O5/c1-6-16(22)18-12-7-8-15(13(9-12)20(23)24)25-10-14(21)11(2)19-17(3,4)5/h7-9,11,14,19,21H,6,10H2,1-5H3,(H,18,22)