N-butyl-N-(4-methylsulfonyl-2,6-dinitro-phenyl)propanamide

Systemtic Name: N-butyl-N-(4-methylsulfonyl-2,6-dinitro-phenyl)propanamide Openeye Name: N-butyl-N-(4-methylsulfonyl-2,6-dinitro-phenyl)propanamide CAS Name: N-butyl-N-(4-methylsulfonyl-2,6-dinitrophenyl)propanamide IUPAC Name: N-butyl-N-(4-methylsulfonyl-2,6-dinitrophenyl)propanamide Traditional Name: N-butyl-N-(4-mesyl-2,6-dinitro-phenyl)propionamide Formula: C14H19N3O7S MolecularWeight: 373.38156

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19N3O7S/c1-4-6-7-15(13(18)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