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

Systemtic Name: 4-methylsulfonyl-2,6-dinitro-N-propyl-aniline Openeye Name: 4-methylsulfonyl-2,6-dinitro-N-propyl-aniline CAS Name: 4-methylsulfonyl-2,6-dinitro-N-propylaniline IUPAC Name: 4-methylsulfonyl-2,6-dinitro-N-propylaniline Traditional Name: (4-mesyl-2,6-dinitro-phenyl)-propyl-amine Formula: C10H13N3O6S MolecularWeight: 303.29172

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC1=C(C=C(C=C1[N+](=O)[O-])S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CCCNC1=C(C=C(C=C1[N+](=O)[O-])S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C10H13N3O6S/c1-3-4-11-10-8(12(14)15)5-7(20(2,18)19)6-9(10)13(16)17/h5-6,11H,3-4H2,1-2H3