2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-5-nitro-benzenecarbonitrile

Systemtic Name: 2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-5-nitro-benzenecarbonitrile Openeye Name: 2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-5-nitro-benzonitrile CAS Name: 2-[(2S,6S)-2,6-dimethyl-4-morpholinyl]-5-nitrobenzonitrile IUPAC Name: 2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-5-nitrobenzonitrile Traditional Name: 2-[(2S,6S)-2,6-dimethylmorpholino]-5-nitro-benzonitrile Formula: C13H15N3O3 MolecularWeight: 261.2765

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(O1)C)C2=C(C=C(C=C2)[N+](=O)[O-])C#N

Isomeric SMILES

C[C@H]1CN(C[C@@H](O1)C)C2=C(C=C(C=C2)[N+](=O)[O-])C#N

InChI

InChI=1S/C13H15N3O3/c1-9-7-15(8-10(2)19-9)13-4-3-12(16(17)18)5-11(13)6-14/h3-5,9-10H,7-8H2,1-2H3/t9-,10-/m0/s1