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

Systemtic Name: 3,5-dimethyl-4-(nitromethylsulfonyl)aniline Openeye Name: 3,5-dimethyl-4-(nitromethylsulfonyl)aniline CAS Name: 3,5-dimethyl-4-(nitromethylsulfonyl)aniline IUPAC Name: 3,5-dimethyl-4-(nitromethylsulfonyl)aniline Traditional Name: [3,5-dimethyl-4-(nitromethylsulfonyl)phenyl]amine Formula: C9H12N2O4S MolecularWeight: 244.26758

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1S(=O)(=O)C[N+](=O)[O-])C)N

Isomeric SMILES

CC1=CC(=CC(=C1S(=O)(=O)C[N+](=O)[O-])C)N

InChI

InChI=1S/C9H12N2O4S/c1-6-3-8(10)4-7(2)9(6)16(14,15)5-11(12)13/h3-4H,5,10H2,1-2H3