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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17N3O4/c15-9-12(10-18)7-11-1-2-13(14(8-11)17(19)20)16-3-5-21-6-4-16/h1-2,8,12,18H,3-7,10H2/t12-/m0/s1