N-butyl-4-methylsulfonyl-2-nitro-aniline

Systemtic Name: N-butyl-4-methylsulfonyl-2-nitro-aniline Openeye Name: N-butyl-4-methylsulfonyl-2-nitro-aniline CAS Name: N-butyl-4-methylsulfonyl-2-nitroaniline IUPAC Name: N-butyl-4-methylsulfonyl-2-nitroaniline Traditional Name: butyl-(4-mesyl-2-nitro-phenyl)amine Formula: C11H16N2O4S MolecularWeight: 272.32074

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=C(C=C(C=C1)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CCCCNC1=C(C=C(C=C1)S(=O)(=O)C)[N+](=O)[O-]

InChI

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