1-[6-[(4-nitro-2,1,3-benzoxadiazol-5-yl)amino]-1,3-benzodioxol-5-yl]ethanone

Systemtic Name: 1-[6-[(4-nitro-2,1,3-benzoxadiazol-5-yl)amino]-1,3-benzodioxol-5-yl]ethanone Openeye Name: 1-[6-[(4-nitro-2,1,3-benzoxadiazol-5-yl)amino]-1,3-benzodioxol-5-yl]ethanone CAS Name: 1-[6-[(4-nitro-2,1,3-benzoxadiazol-5-yl)amino]-1,3-benzodioxol-5-yl]ethanone IUPAC Name: 1-[6-[(4-nitro-2,1,3-benzoxadiazol-5-yl)amino]-1,3-benzodioxol-5-yl]ethanone Traditional Name: 1-[6-[(4-nitrobenzofurazan-5-yl)amino]-1,3-benzodioxol-5-yl]ethanone Formula: C15H10N4O6 MolecularWeight: 342.2631

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC2=C(C=C1NC3=C(C4=NON=C4C=C3)[N+](=O)[O-])OCO2

Isomeric SMILES

CC(=O)C1=CC2=C(C=C1NC3=C(C4=NON=C4C=C3)[N+](=O)[O-])OCO2

InChI

InChI=1S/C15H10N4O6/c1-7(20)8-4-12-13(24-6-23-12)5-11(8)16-10-3-2-9-14(18-25-17-9)15(10)19(21)22/h2-5,16H,6H2,1H3