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

Systemtic Name: N-ethyl-N-(4-methylsulfonyl-2,6-dinitro-phenyl)propanamide Openeye Name: N-ethyl-N-(4-methylsulfonyl-2,6-dinitro-phenyl)propanamide CAS Name: N-ethyl-N-(4-methylsulfonyl-2,6-dinitrophenyl)propanamide IUPAC Name: N-ethyl-N-(4-methylsulfonyl-2,6-dinitrophenyl)propanamide Traditional Name: N-ethyl-N-(4-mesyl-2,6-dinitro-phenyl)propionamide Formula: C12H15N3O7S MolecularWeight: 345.3284

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15N3O7S/c1-4-11(16)13(5-2)12-9(14(17)18)6-8(23(3,21)22)7-10(12)15(19)20/h6-7H,4-5H2,1-3H3