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

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

Systemtic Name:methyl 4-[(4-methylsulfonyl-2-nitro-phenyl)amino]butanoate
Openeye Name:methyl 4-(4-methylsulfonyl-2-nitro-anilino)butanoate
CAS Name:4-(4-methylsulfonyl-2-nitroanilino)butanoic acid methyl ester
IUPAC Name:methyl 4-(4-methylsulfonyl-2-nitroanilino)butanoate
Traditional Name:4-(4-mesyl-2-nitro-anilino)butyric acid methyl ester
Formula: C12H16N2O6S
MolecularWeight: 316.33024
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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCNC1=C(C=C(C=C1)S(=O)(=O)C)[N+](=O)[O-]


Isomeric SMILES

COC(=O)CCCNC1=C(C=C(C=C1)S(=O)(=O)C)[N+](=O)[O-]


InChI

InChI=1S/C12H16N2O6S/c1-20-12(15)4-3-7-13-10-6-5-9(21(2,18)19)8-11(10)14(16)17/h5-6,8,13H,3-4,7H2,1-2H3


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