N'-butyl-N-[4-[(5,7-dinitro-2,1,3-benzoxadiazol-4-yl)amino]phenyl]sulfonyl-carbamimidate

Systemtic Name: N'-butyl-N-[4-[(5,7-dinitro-2,1,3-benzoxadiazol-4-yl)amino]phenyl]sulfonyl-carbamimidate Openeye Name: N'-butyl-N-[4-[(5,7-dinitro-2,1,3-benzoxadiazol-4-yl)amino]phenyl]sulfonyl-carbamimidate CAS Name: N'-butyl-N-[4-[(5,7-dinitro-2,1,3-benzoxadiazol-4-yl)amino]phenyl]sulfonylcarbamimidate IUPAC Name: N'-butyl-N-[4-[(5,7-dinitro-2,1,3-benzoxadiazol-4-yl)amino]phenyl]sulfonylcarbamimidate Traditional Name: N'-butyl-N-[4-[(5,7-dinitrobenzofurazan-4-yl)amino]phenyl]sulfonyl-carbamimidate Formula: C17H16N7O8S- MolecularWeight: 478.41604

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN=C(NS(=O)(=O)C1=CC=C(C=C1)NC2=C(C=C(C3=NON=C23)[N+](=O)[O-])[N+](=O)[O-])[O-]

Isomeric SMILES

CCCCN=C(NS(=O)(=O)C1=CC=C(C=C1)NC2=C(C=C(C3=NON=C23)[N+](=O)[O-])[N+](=O)[O-])[O-]

InChI

InChI=1S/C17H17N7O8S/c1-2-3-8-18-17(25)22-33(30,31)11-6-4-10(5-7-11)19-14-12(23(26)27)9-13(24(28)29)15-16(14)21-32-20-15/h4-7,9,19H,2-3,8H2,1H3,(H2,18,22,25)/p-1