N-(2-methylpropyl)-4-methylsulfonyl-2-nitro-aniline

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC1=C(C=C(C=C1)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC(C)CNC1=C(C=C(C=C1)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C11H16N2O4S/c1-8(2)7-12-10-5-4-9(18(3,16)17)6-11(10)13(14)15/h4-6,8,12H,7H2,1-3H3