4-[(3-chloranyl-4-methyl-5-nitro-phenyl)sulfonylamino]butanoate

Systemtic Name: 4-[(3-chloranyl-4-methyl-5-nitro-phenyl)sulfonylamino]butanoate Openeye Name: 4-[(3-chloro-4-methyl-5-nitro-phenyl)sulfonylamino]butanoate CAS Name: 4-[(3-chloro-4-methyl-5-nitrophenyl)sulfonylamino]butanoate IUPAC Name: 4-[(3-chloro-4-methyl-5-nitrophenyl)sulfonylamino]butanoate Traditional Name: 4-[(3-chloro-4-methyl-5-nitro-phenyl)sulfonylamino]butyrate Formula: C11H12ClN2O6S- MolecularWeight: 335.74078

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H13ClN2O6S/c1-7-9(12)5-8(6-10(7)14(17)18)21(19,20)13-4-2-3-11(15)16/h5-6,13H,2-4H2,1H3,(H,15,16)/p-1