sodium ethyl 2-cyano-2-(4-nitro-3-oxidanidyl-2,1,3-benzoxadiazol-3-ium-7-yl)ethanoate

Systemtic Name: sodium ethyl 2-cyano-2-(4-nitro-3-oxidanidyl-2,1,3-benzoxadiazol-3-ium-7-yl)ethanoate Openeye Name: sodium ethyl 2-cyano-2-(4-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium-7-yl)acetate CAS Name: sodium 2-cyano-2-(4-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium-7-yl)acetic acid ethyl ester IUPAC Name: sodium ethyl 2-cyano-2-(4-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium-7-yl)acetate Traditional Name: sodium 2-cyano-2-(7-nitro-1-oxido-benzofurazan-1-ium-4-yl)acetic acid ethyl ester Formula: C11H8N4NaO6+ MolecularWeight: 315.19419

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C#N)C1=CC=C(C2=[N+](ON=C12)[O-])[N+](=O)[O-].[Na+]

Isomeric SMILES

CCOC(=O)C(C#N)C1=CC=C(C2=[N+](ON=C12)[O-])[N+](=O)[O-].[Na+]

InChI

InChI=1S/C11H8N4O6.Na/c1-2-20-11(16)7(5-12)6-3-4-8(14(17)18)10-9(6)13-21-15(10)19;/h3-4,7H,2H2,1H3;/q;+1