2-methyl-N-[2-[[3-[2-nitro-4-(propanoylamino)phenoxy]-2-oxidanyl-propyl]amino]ethyl]propanamide

Systemtic Name: 2-methyl-N-[2-[[3-[2-nitro-4-(propanoylamino)phenoxy]-2-oxidanyl-propyl]amino]ethyl]propanamide Openeye Name: N-[2-[[2-hydroxy-3-[2-nitro-4-(propanoylamino)phenoxy]propyl]amino]ethyl]-2-methyl-propanamide CAS Name: N-[2-[[2-hydroxy-3-[2-nitro-4-(1-oxopropylamino)phenoxy]propyl]amino]ethyl]-2-methylpropanamide IUPAC Name: N-[2-[[2-hydroxy-3-[2-nitro-4-(propanoylamino)phenoxy]propyl]amino]ethyl]-2-methylpropanamide Traditional Name: N-[2-[[2-hydroxy-3-(2-nitro-4-propionamido-phenoxy)propyl]amino]ethyl]-2-methyl-propionamide Formula: C18H28N4O6 MolecularWeight: 396.43812

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H28N4O6/c1-4-17(24)21-13-5-6-16(15(9-13)22(26)27)28-11-14(23)10-19-7-8-20-18(25)12(2)3/h5-6,9,12,14,19,23H,4,7-8,10-11H2,1-3H3,(H,20,25)(H,21,24)