2-methylsulfonyl-3,4-dinitro-N,N-dipropyl-aniline

Systemtic Name: 2-methylsulfonyl-3,4-dinitro-N,N-dipropyl-aniline Openeye Name: 2-methylsulfonyl-3,4-dinitro-N,N-dipropyl-aniline CAS Name: 2-methylsulfonyl-3,4-dinitro-N,N-dipropylaniline IUPAC Name: 2-methylsulfonyl-3,4-dinitro-N,N-dipropylaniline Traditional Name: (2-mesyl-3,4-dinitro-phenyl)-dipropyl-amine Formula: C13H19N3O6S MolecularWeight: 345.37146

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19N3O6S/c1-4-8-14(9-5-2)11-7-6-10(15(17)18)12(16(19)20)13(11)23(3,21)22/h6-7H,4-5,8-9H2,1-3H3