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

Systemtic Name: methyl 4-[(3-chloranyl-4-methyl-5-nitro-phenyl)sulfonylamino]butanoate Openeye Name: methyl 4-[(3-chloro-4-methyl-5-nitro-phenyl)sulfonylamino]butanoate CAS Name: 4-[(3-chloro-4-methyl-5-nitrophenyl)sulfonylamino]butanoic acid methyl ester IUPAC Name: methyl 4-[(3-chloro-4-methyl-5-nitrophenyl)sulfonylamino]butanoate Traditional Name: 4-[(3-chloro-4-methyl-5-nitro-phenyl)sulfonylamino]butyric acid methyl ester Formula: C12H15ClN2O6S MolecularWeight: 350.7753

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15ClN2O6S/c1-8-10(13)6-9(7-11(8)15(17)18)22(19,20)14-5-3-4-12(16)21-2/h6-7,14H,3-5H2,1-2H3