N-butyl-4-methylsulfonyl-2,6-dinitro-aniline

Systemtic Name: N-butyl-4-methylsulfonyl-2,6-dinitro-aniline Openeye Name: N-butyl-4-methylsulfonyl-2,6-dinitro-aniline CAS Name: N-butyl-4-methylsulfonyl-2,6-dinitroaniline IUPAC Name: N-butyl-4-methylsulfonyl-2,6-dinitroaniline Traditional Name: butyl-(4-mesyl-2,6-dinitro-phenyl)amine Formula: C11H15N3O6S MolecularWeight: 317.3183

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=C(C=C(C=C1[N+](=O)[O-])S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CCCCNC1=C(C=C(C=C1[N+](=O)[O-])S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C11H15N3O6S/c1-3-4-5-12-11-9(13(15)16)6-8(21(2,19)20)7-10(11)14(17)18/h6-7,12H,3-5H2,1-2H3