sodium 8-methoxy-6-nitro-naphtho[2,1-g][1,3]benzodioxole-5-carboxylate

Systemtic Name: sodium 8-methoxy-6-nitro-naphtho[2,1-g][1,3]benzodioxole-5-carboxylate Openeye Name: sodium 8-methoxy-6-nitro-naphtho[2,1-g][1,3]benzodioxole-5-carboxylate CAS Name: sodium 8-methoxy-6-nitro-5-naphtho[2,1-g][1,3]benzodioxolecarboxylate IUPAC Name: sodium 8-methoxy-6-nitronaphtho[2,1-g][1,3]benzodioxole-5-carboxylate Traditional Name: sodium 8-methoxy-6-nitro-naphtho[2,1-g][1,3]benzodioxole-5-carboxylate Formula: C17H10NNaO7 MolecularWeight: 363.25357

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H11NO7.Na/c1-23-12-4-2-3-8-9(12)5-11(18(21)22)14-10(17(19)20)6-13-16(15(8)14)25-7-24-13;/h2-6H,7H2,1H3,(H,19,20);/q;+1/p-1