3-(1,3-benzodioxol-5-yl)-4-nitro-butanenitrile

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-4-nitro-butanenitrile Openeye Name: 3-(1,3-benzodioxol-5-yl)-4-nitro-butanenitrile CAS Name: 3-(1,3-benzodioxol-5-yl)-4-nitrobutanenitrile IUPAC Name: 3-(1,3-benzodioxol-5-yl)-4-nitrobutanenitrile Traditional Name: 3-(1,3-benzodioxol-5-yl)-4-nitro-butyronitrile Formula: C11H10N2O4 MolecularWeight: 234.2081

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(CC#N)C[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(CC#N)C[N+](=O)[O-]

InChI

InChI=1S/C11H10N2O4/c12-4-3-9(6-13(14)15)8-1-2-10-11(5-8)17-7-16-10/h1-2,5,9H,3,6-7H2