5-nitro-4H-1,3-benzodioxole-5-carbaldehyde

Systemtic Name: 5-nitro-4H-1,3-benzodioxole-5-carbaldehyde Openeye Name: 5-nitro-4H-1,3-benzodioxole-5-carbaldehyde CAS Name: 5-nitro-4H-1,3-benzodioxole-5-carboxaldehyde IUPAC Name: 5-nitro-4H-1,3-benzodioxole-5-carbaldehyde Traditional Name: 5-nitro-4H-1,3-benzodioxole-5-carbaldehyde Formula: C8H7NO5 MolecularWeight: 197.14488

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C=CC1(C=O)[N+](=O)[O-])OCO2

Isomeric SMILES

C1C2=C(C=CC1(C=O)[N+](=O)[O-])OCO2

InChI

InChI=1S/C8H7NO5/c10-4-8(9(11)12)2-1-6-7(3-8)14-5-13-6/h1-2,4H,3,5H2