2-nitro-6-[2-oxidanyl-3-[4-(1-oxidanyl-4-oxidanylidene-pentan-2-yl)phenoxy]propoxy]benzenecarbonitrile

Systemtic Name: 2-nitro-6-[2-oxidanyl-3-[4-(1-oxidanyl-4-oxidanylidene-pentan-2-yl)phenoxy]propoxy]benzenecarbonitrile Openeye Name: 2-[2-hydroxy-3-[4-[1-(hydroxymethyl)-3-oxo-butyl]phenoxy]propoxy]-6-nitro-benzonitrile CAS Name: 2-[2-hydroxy-3-[4-(1-hydroxy-4-oxopentan-2-yl)phenoxy]propoxy]-6-nitrobenzonitrile IUPAC Name: 2-[2-hydroxy-3-[4-(1-hydroxy-4-oxopentan-2-yl)phenoxy]propoxy]-6-nitrobenzonitrile Traditional Name: 2-[2-hydroxy-3-[4-(3-keto-1-methylol-butyl)phenoxy]propoxy]-6-nitro-benzonitrile Formula: C21H22N2O7 MolecularWeight: 414.40858

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(CO)C1=CC=C(C=C1)OCC(COC2=CC=CC(=C2C#N)[N+](=O)[O-])O

Isomeric SMILES

CC(=O)CC(CO)C1=CC=C(C=C1)OCC(COC2=CC=CC(=C2C#N)[N+](=O)[O-])O

InChI

InChI=1S/C21H22N2O7/c1-14(25)9-16(11-24)15-5-7-18(8-6-15)29-12-17(26)13-30-21-4-2-3-20(23(27)28)19(21)10-22/h2-8,16-17,24,26H,9,11-13H2,1H3