3-[(2-methyl-5-nitro-phenyl)sulfonylamino]butanoic acid

Systemtic Name: 3-[(2-methyl-5-nitro-phenyl)sulfonylamino]butanoic acid Openeye Name: 3-[(2-methyl-5-nitro-phenyl)sulfonylamino]butanoic acid CAS Name: 3-[(2-methyl-5-nitrophenyl)sulfonylamino]butanoic acid IUPAC Name: 3-[(2-methyl-5-nitrophenyl)sulfonylamino]butanoic acid Traditional Name: 3-[(2-methyl-5-nitro-phenyl)sulfonylamino]butyric acid Formula: C11H14N2O6S MolecularWeight: 302.30366

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NC(C)CC(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NC(C)CC(=O)O

InChI

InChI=1S/C11H14N2O6S/c1-7-3-4-9(13(16)17)6-10(7)20(18,19)12-8(2)5-11(14)15/h3-4,6,8,12H,5H2,1-2H3,(H,14,15)