4-[(2S)-3-(6-methyl-2-nitro-pyridin-3-yl)oxy-2-oxidanyl-propoxy]benzenecarbonitrile

Systemtic Name: 4-[(2S)-3-(6-methyl-2-nitro-pyridin-3-yl)oxy-2-oxidanyl-propoxy]benzenecarbonitrile Openeye Name: 4-[(2S)-2-hydroxy-3-[(6-methyl-2-nitro-3-pyridyl)oxy]propoxy]benzonitrile CAS Name: 4-[(2S)-2-hydroxy-3-[(6-methyl-2-nitro-3-pyridinyl)oxy]propoxy]benzonitrile IUPAC Name: 4-[(2S)-2-hydroxy-3-(6-methyl-2-nitropyridin-3-yl)oxypropoxy]benzonitrile Traditional Name: 4-[(2S)-2-hydroxy-3-[(6-methyl-2-nitro-3-pyridyl)oxy]propoxy]benzonitrile Formula: C16H15N3O5 MolecularWeight: 329.3074

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C=C1)OCC(COC2=CC=C(C=C2)C#N)O)[N+](=O)[O-]

Isomeric SMILES

CC1=NC(=C(C=C1)OC[C@H](COC2=CC=C(C=C2)C#N)O)[N+](=O)[O-]

InChI

InChI=1S/C16H15N3O5/c1-11-2-7-15(16(18-11)19(21)22)24-10-13(20)9-23-14-5-3-12(8-17)4-6-14/h2-7,13,20H,9-10H2,1H3/t13-/m0/s1