butyl-(4-methylsulfonyl-2,6-dinitro-phenyl)cyanamide

Systemtic Name: butyl-(4-methylsulfonyl-2,6-dinitro-phenyl)cyanamide Openeye Name: butyl-(4-methylsulfonyl-2,6-dinitro-phenyl)cyanamide CAS Name: butyl-(4-methylsulfonyl-2,6-dinitrophenyl)cyanamide IUPAC Name: butyl-(4-methylsulfonyl-2,6-dinitrophenyl)cyanamide Traditional Name: butyl-(4-mesyl-2,6-dinitro-phenyl)cyanamide Formula: C12H14N4O6S MolecularWeight: 342.32776

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C#N)C1=C(C=C(C=C1[N+](=O)[O-])S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CCCCN(C#N)C1=C(C=C(C=C1[N+](=O)[O-])S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C12H14N4O6S/c1-3-4-5-14(8-13)12-10(15(17)18)6-9(23(2,21)22)7-11(12)16(19)20/h6-7H,3-5H2,1-2H3