(2-chloranyl-6-fluoranyl-phenyl)methyl 3-[(2-nitro-4-sulfamoyl-phenyl)amino]propanoate

Systemtic Name: (2-chloranyl-6-fluoranyl-phenyl)methyl 3-[(2-nitro-4-sulfamoyl-phenyl)amino]propanoate Openeye Name: (2-chloro-6-fluoro-phenyl)methyl 3-(2-nitro-4-sulfamoyl-anilino)propanoate CAS Name: 3-(2-nitro-4-sulfamoylanilino)propanoic acid (2-chloro-6-fluorophenyl)methyl ester IUPAC Name: (2-chloro-6-fluorophenyl)methyl 3-(2-nitro-4-sulfamoylanilino)propanoate Traditional Name: 3-(2-nitro-4-sulfamoyl-anilino)propionic acid (2-chloro-6-fluoro-benzyl) ester Formula: C16H15ClFN3O6S MolecularWeight: 431.823203

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)Cl)COC(=O)CCNC2=C(C=C(C=C2)S(=O)(=O)N)[N+](=O)[O-])F

Isomeric SMILES

C1=CC(=C(C(=C1)Cl)COC(=O)CCNC2=C(C=C(C=C2)S(=O)(=O)N)[N+](=O)[O-])F

InChI

InChI=1S/C16H15ClFN3O6S/c17-12-2-1-3-13(18)11(12)9-27-16(22)6-7-20-14-5-4-10(28(19,25)26)8-15(14)21(23)24/h1-5,8,20H,6-7,9H2,(H2,19,25,26)