3-methyl-4-methylsulfonyl-2,6-dinitro-N-pentyl-aniline

Systemtic Name: 3-methyl-4-methylsulfonyl-2,6-dinitro-N-pentyl-aniline Openeye Name: 3-methyl-4-methylsulfonyl-2,6-dinitro-N-pentyl-aniline CAS Name: 3-methyl-4-methylsulfonyl-2,6-dinitro-N-pentylaniline IUPAC Name: 3-methyl-4-methylsulfonyl-2,6-dinitro-N-pentylaniline Traditional Name: amyl-(4-mesyl-3-methyl-2,6-dinitro-phenyl)amine Formula: C13H19N3O6S MolecularWeight: 345.37146

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC1=C(C(=C(C=C1[N+](=O)[O-])S(=O)(=O)C)C)[N+](=O)[O-]

Isomeric SMILES

CCCCCNC1=C(C(=C(C=C1[N+](=O)[O-])S(=O)(=O)C)C)[N+](=O)[O-]

InChI

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