8,9-dimethoxy-6-nitro-naphtho[2,1-g][1,3]benzodioxole-5-carboxylic acid

Systemtic Name: 8,9-dimethoxy-6-nitro-naphtho[2,1-g][1,3]benzodioxole-5-carboxylic acid Openeye Name: 8,9-dimethoxy-6-nitro-naphtho[2,1-g][1,3]benzodioxole-5-carboxylic acid CAS Name: 8,9-dimethoxy-6-nitro-5-naphtho[2,1-g][1,3]benzodioxolecarboxylic acid IUPAC Name: 8,9-dimethoxy-6-nitronaphtho[2,1-g][1,3]benzodioxole-5-carboxylic acid Traditional Name: 8,9-dimethoxy-6-nitro-naphtho[2,1-g][1,3]benzodioxole-5-carboxylic acid Formula: C18H13NO8 MolecularWeight: 371.29772

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=CC(=C3C(=CC4=C(C3=C2C=C1)OCO4)C(=O)O)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C2=CC(=C3C(=CC4=C(C3=C2C=C1)OCO4)C(=O)O)[N+](=O)[O-])OC

InChI

InChI=1S/C18H13NO8/c1-24-12-4-3-8-9(16(12)25-2)5-11(19(22)23)14-10(18(20)21)6-13-17(15(8)14)27-7-26-13/h3-6H,7H2,1-2H3,(H,20,21)