2-(7-azanyl-4-nitro-1H-2,1,3-benzoxadiazol-3-yl)ethyl 8-bromanyloctyl carbonate

Systemtic Name: 2-(7-azanyl-4-nitro-1H-2,1,3-benzoxadiazol-3-yl)ethyl 8-bromanyloctyl carbonate Openeye Name: 2-(7-amino-4-nitro-1H-2,1,3-benzoxadiazol-3-yl)ethyl 8-bromooctyl carbonate CAS Name: carbonic acid 2-(7-amino-4-nitro-1H-2,1,3-benzoxadiazol-3-yl)ethyl 8-bromooctyl ester IUPAC Name: 2-(7-amino-4-nitro-1H-2,1,3-benzoxadiazol-3-yl)ethyl 8-bromooctyl carbonate Traditional Name: carbonic acid 2-(4-amino-7-nitro-3H-benzofurazan-1-yl)ethyl 8-bromooctyl ester Formula: C17H25BrN4O6 MolecularWeight: 461.3076

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C2C(=C1N)NON2CCOC(=O)OCCCCCCCCBr)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=C2C(=C1N)NON2CCOC(=O)OCCCCCCCCBr)[N+](=O)[O-]

InChI

InChI=1S/C17H25BrN4O6/c18-9-5-3-1-2-4-6-11-26-17(23)27-12-10-21-16-14(22(24)25)8-7-13(19)15(16)20-28-21/h7-8,20H,1-6,9-12,19H2