4,5-bis(2-methoxyethoxy)-2-nitro-benzenecarbonitrile

Systemtic Name: 4,5-bis(2-methoxyethoxy)-2-nitro-benzenecarbonitrile Openeye Name: 4,5-bis(2-methoxyethoxy)-2-nitro-benzonitrile CAS Name: 4,5-bis(2-methoxyethoxy)-2-nitrobenzonitrile IUPAC Name: 4,5-bis(2-methoxyethoxy)-2-nitrobenzonitrile Traditional Name: 4,5-bis(2-methoxyethoxy)-2-nitro-benzonitrile Formula: C13H16N2O6 MolecularWeight: 296.27594

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Descriptors Computed from Structure

Canonical SMILES:

COCCOC1=C(C=C(C(=C1)C#N)[N+](=O)[O-])OCCOC

Isomeric SMILES

COCCOC1=C(C=C(C(=C1)C#N)[N+](=O)[O-])OCCOC

InChI

InChI=1S/C13H16N2O6/c1-18-3-5-20-12-7-10(9-14)11(15(16)17)8-13(12)21-6-4-19-2/h7-8H,3-6H2,1-2H3