5-nitro-4H-1,3-benzodioxole-5-carboxylic acid

Systemtic Name: 5-nitro-4H-1,3-benzodioxole-5-carboxylic acid Openeye Name: 5-nitro-4H-1,3-benzodioxole-5-carboxylic acid CAS Name: 5-nitro-4H-1,3-benzodioxole-5-carboxylic acid IUPAC Name: 5-nitro-4H-1,3-benzodioxole-5-carboxylic acid Traditional Name: 5-nitro-4H-1,3-benzodioxole-5-carboxylic acid Formula: C8H7NO6 MolecularWeight: 213.14428

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H7NO6/c10-7(11)8(9(12)13)2-1-5-6(3-8)15-4-14-5/h1-2H,3-4H2,(H,10,11)