N-ethyl-3,5-dimethyl-4-(nitromethylsulfonyl)aniline

Systemtic Name: N-ethyl-3,5-dimethyl-4-(nitromethylsulfonyl)aniline Openeye Name: N-ethyl-3,5-dimethyl-4-(nitromethylsulfonyl)aniline CAS Name: N-ethyl-3,5-dimethyl-4-(nitromethylsulfonyl)aniline IUPAC Name: N-ethyl-3,5-dimethyl-4-(nitromethylsulfonyl)aniline Traditional Name: [3,5-dimethyl-4-(nitromethylsulfonyl)phenyl]-ethyl-amine Formula: C11H16N2O4S MolecularWeight: 272.32074

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=CC(=C(C(=C1)C)S(=O)(=O)C[N+](=O)[O-])C

Isomeric SMILES

CCNC1=CC(=C(C(=C1)C)S(=O)(=O)C[N+](=O)[O-])C

InChI

InChI=1S/C11H16N2O4S/c1-4-12-10-5-8(2)11(9(3)6-10)18(16,17)7-13(14)15/h5-6,12H,4,7H2,1-3H3