(4-aminocarbonyl-2-nitro-phenyl)methyl 2-methyl-5-sulfamoyl-benzoate

Systemtic Name: (4-aminocarbonyl-2-nitro-phenyl)methyl 2-methyl-5-sulfamoyl-benzoate Openeye Name: (4-carbamoyl-2-nitro-phenyl)methyl 2-methyl-5-sulfamoyl-benzoate CAS Name: 2-methyl-5-sulfamoylbenzoic acid (4-carbamoyl-2-nitrophenyl)methyl ester IUPAC Name: (4-carbamoyl-2-nitrophenyl)methyl 2-methyl-5-sulfamoylbenzoate Traditional Name: 2-methyl-5-sulfamoyl-benzoic acid (4-carbamoyl-2-nitro-benzyl) ester Formula: C16H15N3O7S MolecularWeight: 393.3712

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N)C(=O)OCC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N)C(=O)OCC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C16H15N3O7S/c1-9-2-5-12(27(18,24)25)7-13(9)16(21)26-8-11-4-3-10(15(17)20)6-14(11)19(22)23/h2-7H,8H2,1H3,(H2,17,20)(H2,18,24,25)