(2R,3S)-2-azanyl-3-(4-nitrophenyl)-3-oxidanyl-N-pentyl-propanamide

Systemtic Name: (2R,3S)-2-azanyl-3-(4-nitrophenyl)-3-oxidanyl-N-pentyl-propanamide Openeye Name: (2R,3S)-2-amino-3-hydroxy-3-(4-nitrophenyl)-N-pentyl-propanamide CAS Name: (2R,3S)-2-amino-3-hydroxy-3-(4-nitrophenyl)-N-pentylpropanamide IUPAC Name: (2R,3S)-2-amino-3-hydroxy-3-(4-nitrophenyl)-N-pentylpropanamide Traditional Name: (2R,3S)-2-amino-N-amyl-3-hydroxy-3-(4-nitrophenyl)propionamide Formula: C14H21N3O4 MolecularWeight: 295.33424

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=O)C(C(C1=CC=C(C=C1)[N+](=O)[O-])O)N

Isomeric SMILES

CCCCCNC(=O)[C@@H]([C@H](C1=CC=C(C=C1)[N+](=O)[O-])O)N

InChI

InChI=1S/C14H21N3O4/c1-2-3-4-9-16-14(19)12(15)13(18)10-5-7-11(8-6-10)17(20)21/h5-8,12-13,18H,2-4,9,15H2,1H3,(H,16,19)/t12-,13+/m1/s1