7,8-dimethoxy-6-nitro-naphtho[2,1-g][1,3]benzodioxole-5-carboxylic acid

Systemtic Name: 7,8-dimethoxy-6-nitro-naphtho[2,1-g][1,3]benzodioxole-5-carboxylic acid Openeye Name: 7,8-dimethoxy-6-nitro-naphtho[2,1-g][1,3]benzodioxole-5-carboxylic acid CAS Name: 7,8-dimethoxy-6-nitro-5-naphtho[2,1-g][1,3]benzodioxolecarboxylic acid IUPAC Name: 7,8-dimethoxy-6-nitronaphtho[2,1-g][1,3]benzodioxole-5-carboxylic acid Traditional Name: 7,8-dimethoxy-6-nitro-naphtho[2,1-g][1,3]benzodioxole-5-carboxylic acid Formula: C18H13NO8 MolecularWeight: 371.29772

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C3C(=C(C(=C21)OC)[N+](=O)[O-])C(=CC4=C3OCO4)C(=O)O

Isomeric SMILES

COC1=CC=CC2=C3C(=C(C(=C21)OC)[N+](=O)[O-])C(=CC4=C3OCO4)C(=O)O

InChI

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