4-[(4-methylsulfonyl-2-nitro-phenyl)amino]butanoate

Systemtic Name: 4-[(4-methylsulfonyl-2-nitro-phenyl)amino]butanoate Openeye Name: 4-(4-methylsulfonyl-2-nitro-anilino)butanoate CAS Name: 4-(4-methylsulfonyl-2-nitroanilino)butanoate IUPAC Name: 4-(4-methylsulfonyl-2-nitroanilino)butanoate Traditional Name: 4-(4-mesyl-2-nitro-anilino)butyrate Formula: C11H13N2O6S- MolecularWeight: 301.29572

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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)/p-1