butyl 6-iodanyl-7-nitro-3-oxidanylidene-2H-quinoxaline-2-carboxylate

Systemtic Name: butyl 6-iodanyl-7-nitro-3-oxidanylidene-2H-quinoxaline-2-carboxylate Openeye Name: butyl 6-iodo-7-nitro-3-oxo-2H-quinoxaline-2-carboxylate CAS Name: 6-iodo-7-nitro-3-oxo-2H-quinoxaline-2-carboxylic acid butyl ester IUPAC Name: butyl 6-iodo-7-nitro-3-oxo-2H-quinoxaline-2-carboxylate Traditional Name: 6-iodo-3-keto-7-nitro-2H-quinoxaline-2-carboxylic acid butyl ester Formula: C13H12IN3O5 MolecularWeight: 417.15595

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1C(=O)N=C2C=C(C(=CC2=N1)[N+](=O)[O-])I

Isomeric SMILES

CCCCOC(=O)C1C(=O)N=C2C=C(C(=CC2=N1)[N+](=O)[O-])I

InChI

InChI=1S/C13H12IN3O5/c1-2-3-4-22-13(19)11-12(18)16-8-5-7(14)10(17(20)21)6-9(8)15-11/h5-6,11H,2-4H2,1H3