tert-butyl 7,7-bis(azanyl)-7-(4-nitro-2,1,3-benzoxadiazol-7-yl)heptanoate

Systemtic Name: tert-butyl 7,7-bis(azanyl)-7-(4-nitro-2,1,3-benzoxadiazol-7-yl)heptanoate Openeye Name: tert-butyl 7,7-diamino-7-(4-nitro-2,1,3-benzoxadiazol-7-yl)heptanoate CAS Name: 7,7-diamino-7-(4-nitro-2,1,3-benzoxadiazol-7-yl)heptanoic acid tert-butyl ester IUPAC Name: tert-butyl 7,7-diamino-7-(4-nitro-2,1,3-benzoxadiazol-7-yl)heptanoate Traditional Name: 7,7-diamino-7-(7-nitrobenzofurazan-4-yl)enanthic acid tert-butyl ester Formula: C17H25N5O5 MolecularWeight: 379.4109

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CCCCCC(C1=CC=C(C2=NON=C12)[N+](=O)[O-])(N)N

Isomeric SMILES

CC(C)(C)OC(=O)CCCCCC(C1=CC=C(C2=NON=C12)[N+](=O)[O-])(N)N

InChI

InChI=1S/C17H25N5O5/c1-16(2,3)26-13(23)7-5-4-6-10-17(18,19)11-8-9-12(22(24)25)15-14(11)20-27-21-15/h8-9H,4-7,10,18-19H2,1-3H3