4-[(2,3-dimethyl-5-nitro-phenyl)sulfonylamino]butanoate

Systemtic Name: 4-[(2,3-dimethyl-5-nitro-phenyl)sulfonylamino]butanoate Openeye Name: 4-[(2,3-dimethyl-5-nitro-phenyl)sulfonylamino]butanoate CAS Name: 4-[(2,3-dimethyl-5-nitrophenyl)sulfonylamino]butanoate IUPAC Name: 4-[(2,3-dimethyl-5-nitrophenyl)sulfonylamino]butanoate Traditional Name: 4-[(2,3-dimethyl-5-nitro-phenyl)sulfonylamino]butyrate Formula: C12H15N2O6S- MolecularWeight: 315.3223

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1C)S(=O)(=O)NCCCC(=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC(=C1C)S(=O)(=O)NCCCC(=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C12H16N2O6S/c1-8-6-10(14(17)18)7-11(9(8)2)21(19,20)13-5-3-4-12(15)16/h6-7,13H,3-5H2,1-2H3,(H,15,16)/p-1