(1S,2S)-2-azanyl-1-(4-nitrophenyl)propane-1,3-diol; (6R)-6-phenethyl-6-propyl-oxane-2,4-dione

Systemtic Name: (1S,2S)-2-azanyl-1-(4-nitrophenyl)propane-1,3-diol; (6R)-6-phenethyl-6-propyl-oxane-2,4-dione Openeye Name: (1S,2S)-2-amino-1-(4-nitrophenyl)propane-1,3-diol; (6R)-6-phenethyl-6-propyl-tetrahydropyran-2,4-dione CAS Name: (1S,2S)-2-amino-1-(4-nitrophenyl)propane-1,3-diol; (6R)-6-phenethyl-6-propyloxane-2,4-dione IUPAC Name: (1S,2S)-2-amino-1-(4-nitrophenyl)propane-1,3-diol; (6R)-6-phenethyl-6-propyloxane-2,4-dione Traditional Name: (1S,2S)-2-amino-1-(4-nitrophenyl)propane-1,3-diol; (6R)-6-phenethyl-6-propyl-tetrahydropyran-2,4-quinone Formula: C25H32N2O7 MolecularWeight: 472.53078

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1(CC(=O)CC(=O)O1)CCC2=CC=CC=C2.C1=CC(=CC=C1C(C(CO)N)O)[N+](=O)[O-]

Isomeric SMILES

CCC[C@]1(CC(=O)CC(=O)O1)CCC2=CC=CC=C2.C1=CC(=CC=C1[C@@H]([C@H](CO)N)O)[N+](=O)[O-]

InChI

InChI=1S/C16H20O3.C9H12N2O4/c1-2-9-16(12-14(17)11-15(18)19-16)10-8-13-6-4-3-5-7-13;10-8(5-12)9(13)6-1-3-7(4-2-6)11(14)15/h3-7H,2,8-12H2,1H3;1-4,8-9,12-13H,5,10H2/t16-;8-,9-/m10/s1