N-(4-methylsulfonyl-2,6-dinitro-phenyl)-N-propyl-butanamide

Systemtic Name: N-(4-methylsulfonyl-2,6-dinitro-phenyl)-N-propyl-butanamide Openeye Name: N-(4-methylsulfonyl-2,6-dinitro-phenyl)-N-propyl-butanamide CAS Name: N-(4-methylsulfonyl-2,6-dinitrophenyl)-N-propylbutanamide IUPAC Name: N-(4-methylsulfonyl-2,6-dinitrophenyl)-N-propylbutanamide Traditional Name: N-(4-mesyl-2,6-dinitro-phenyl)-N-propyl-butyramide Formula: C14H19N3O7S MolecularWeight: 373.38156

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19N3O7S/c1-4-6-13(18)15(7-5-2)14-11(16(19)20)8-10(25(3,23)24)9-12(14)17(21)22/h8-9H,4-7H2,1-3H3