2-[methyl-[4-nitro-7-(4-nitrophenyl)sulfanyl-2,1,3-benzoxadiazol-5-yl]amino]ethanol

Systemtic Name: 2-[methyl-[4-nitro-7-(4-nitrophenyl)sulfanyl-2,1,3-benzoxadiazol-5-yl]amino]ethanol Openeye Name: 2-[methyl-[4-nitro-7-(4-nitrophenyl)sulfanyl-2,1,3-benzoxadiazol-5-yl]amino]ethanol CAS Name: 2-[methyl-[4-nitro-7-[(4-nitrophenyl)thio]-2,1,3-benzoxadiazol-5-yl]amino]ethanol IUPAC Name: 2-[methyl-[4-nitro-7-(4-nitrophenyl)sulfanyl-2,1,3-benzoxadiazol-5-yl]amino]ethanol Traditional Name: 2-[methyl-[4-nitro-7-[(4-nitrophenyl)thio]benzofurazan-5-yl]amino]ethanol Formula: C15H13N5O6S MolecularWeight: 391.35862

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCO)C1=C(C2=NON=C2C(=C1)SC3=CC=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CN(CCO)C1=C(C2=NON=C2C(=C1)SC3=CC=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C15H13N5O6S/c1-18(6-7-21)11-8-12(13-14(17-26-16-13)15(11)20(24)25)27-10-4-2-9(3-5-10)19(22)23/h2-5,8,21H,6-7H2,1H3