4-[(2-methyl-5-nitro-phenyl)sulfonylamino]butanoate

Systemtic Name: 4-[(2-methyl-5-nitro-phenyl)sulfonylamino]butanoate Openeye Name: 4-[(2-methyl-5-nitro-phenyl)sulfonylamino]butanoate CAS Name: 4-[(2-methyl-5-nitrophenyl)sulfonylamino]butanoate IUPAC Name: 4-[(2-methyl-5-nitrophenyl)sulfonylamino]butanoate Traditional Name: 4-[(2-methyl-5-nitro-phenyl)sulfonylamino]butyrate Formula: C11H13N2O6S- MolecularWeight: 301.29572

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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