(2S)-2-(hydroxymethyl)-3-(2-morpholin-4-yl-5-nitro-phenyl)propanenitrile

Systemtic Name: (2S)-2-(hydroxymethyl)-3-(2-morpholin-4-yl-5-nitro-phenyl)propanenitrile Openeye Name: (2S)-2-(hydroxymethyl)-3-(2-morpholino-5-nitro-phenyl)propanenitrile CAS Name: (2S)-2-(hydroxymethyl)-3-[2-(4-morpholinyl)-5-nitrophenyl]propanenitrile IUPAC Name: (2S)-2-(hydroxymethyl)-3-(2-morpholin-4-yl-5-nitrophenyl)propanenitrile Traditional Name: (2S)-2-methylol-3-(2-morpholino-5-nitro-phenyl)propionitrile Formula: C14H17N3O4 MolecularWeight: 291.30248

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)[N+](=O)[O-])CC(CO)C#N

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)[N+](=O)[O-])C[C@H](CO)C#N

InChI

InChI=1S/C14H17N3O4/c15-9-11(10-18)7-12-8-13(17(19)20)1-2-14(12)16-3-5-21-6-4-16/h1-2,8,11,18H,3-7,10H2/t11-/m0/s1