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

Systemtic Name: (2R,3S)-2-azanyl-N-butyl-3-(4-nitrophenyl)-3-oxidanyl-propanamide Openeye Name: (2R,3S)-2-amino-N-butyl-3-hydroxy-3-(4-nitrophenyl)propanamide CAS Name: (2R,3S)-2-amino-N-butyl-3-hydroxy-3-(4-nitrophenyl)propanamide IUPAC Name: (2R,3S)-2-amino-N-butyl-3-hydroxy-3-(4-nitrophenyl)propanamide Traditional Name: (2R,3S)-2-amino-N-butyl-3-hydroxy-3-(4-nitrophenyl)propionamide Formula: C13H19N3O4 MolecularWeight: 281.30766

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19N3O4/c1-2-3-8-15-13(18)11(14)12(17)9-4-6-10(7-5-9)16(19)20/h4-7,11-12,17H,2-3,8,14H2,1H3,(H,15,18)/t11-,12+/m1/s1