6-(2,2-dimethoxyethyl)-3,4-dimethoxy-2-nitro-benzenecarbonitrile

Systemtic Name: 6-(2,2-dimethoxyethyl)-3,4-dimethoxy-2-nitro-benzenecarbonitrile Openeye Name: 6-(2,2-dimethoxyethyl)-3,4-dimethoxy-2-nitro-benzonitrile CAS Name: 6-(2,2-dimethoxyethyl)-3,4-dimethoxy-2-nitrobenzonitrile IUPAC Name: 6-(2,2-dimethoxyethyl)-3,4-dimethoxy-2-nitrobenzonitrile Traditional Name: 6-(2,2-dimethoxyethyl)-3,4-dimethoxy-2-nitro-benzonitrile Formula: C13H16N2O6 MolecularWeight: 296.27594

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C(=C1)CC(OC)OC)C#N)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C(=C(C(=C1)CC(OC)OC)C#N)[N+](=O)[O-])OC

InChI

InChI=1S/C13H16N2O6/c1-18-10-5-8(6-11(19-2)20-3)9(7-14)12(15(16)17)13(10)21-4/h5,11H,6H2,1-4H3