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4-[(4-methylsulfonyl-2-nitro-phenyl)amino]butanoic acid

4-[(4-methylsulfonyl-2-nitro-phenyl)amino]butanoic acid

Systemtic Name:4-[(4-methylsulfonyl-2-nitro-phenyl)amino]butanoic acid
Openeye Name:4-(4-methylsulfonyl-2-nitro-anilino)butanoic acid
CAS Name:4-(4-methylsulfonyl-2-nitroanilino)butanoic acid
IUPAC Name:4-(4-methylsulfonyl-2-nitroanilino)butanoic acid
Traditional Name:4-(4-mesyl-2-nitro-anilino)butyric acid
Formula: C11H14N2O6S
MolecularWeight: 302.30366
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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)NCCCC(=O)O)[N+](=O)[O-]


Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)NCCCC(=O)O)[N+](=O)[O-]


InChI

InChI=1S/C11H14N2O6S/c1-20(18,19)8-4-5-9(10(7-8)13(16)17)12-6-2-3-11(14)15/h4-5,7,12H,2-3,6H2,1H3,(H,14,15)


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