N-(6-methylsulfonyl-2-nitro-3,4-dipropyl-phenyl)nitramide

Systemtic Name: N-(6-methylsulfonyl-2-nitro-3,4-dipropyl-phenyl)nitramide Openeye Name: N-(6-methylsulfonyl-2-nitro-3,4-dipropyl-phenyl)nitramide CAS Name: N-(6-methylsulfonyl-2-nitro-3,4-dipropylphenyl)nitramide IUPAC Name: N-(6-methylsulfonyl-2-nitro-3,4-dipropylphenyl)nitramide Traditional Name: N-(6-mesyl-2-nitro-3,4-dipropyl-phenyl)nitramide Formula: C13H19N3O6S MolecularWeight: 345.37146

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=C(C(=C1CCC)[N+](=O)[O-])N[N+](=O)[O-])S(=O)(=O)C

Isomeric SMILES

CCCC1=CC(=C(C(=C1CCC)[N+](=O)[O-])N[N+](=O)[O-])S(=O)(=O)C

InChI

InChI=1S/C13H19N3O6S/c1-4-6-9-8-11(23(3,21)22)12(14-16(19)20)13(15(17)18)10(9)7-5-2/h8,14H,4-7H2,1-3H3