(4-aminocarbonyl-2-nitro-phenyl)methyl 3-(4-sulfamoylphenyl)propanoate

Systemtic Name: (4-aminocarbonyl-2-nitro-phenyl)methyl 3-(4-sulfamoylphenyl)propanoate Openeye Name: (4-carbamoyl-2-nitro-phenyl)methyl 3-(4-sulfamoylphenyl)propanoate CAS Name: 3-(4-sulfamoylphenyl)propanoic acid (4-carbamoyl-2-nitrophenyl)methyl ester IUPAC Name: (4-carbamoyl-2-nitrophenyl)methyl 3-(4-sulfamoylphenyl)propanoate Traditional Name: 3-(4-sulfamoylphenyl)propionic acid (4-carbamoyl-2-nitro-benzyl) ester Formula: C17H17N3O7S MolecularWeight: 407.39778

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCC(=O)OCC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-])S(=O)(=O)N

Isomeric SMILES

C1=CC(=CC=C1CCC(=O)OCC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-])S(=O)(=O)N

InChI

InChI=1S/C17H17N3O7S/c18-17(22)12-4-5-13(15(9-12)20(23)24)10-27-16(21)8-3-11-1-6-14(7-2-11)28(19,25)26/h1-2,4-7,9H,3,8,10H2,(H2,18,22)(H2,19,25,26)