(4-aminocarbonyl-2-nitro-phenyl)methyl 3-(methylsulfinylmethyl)benzoate

Systemtic Name: (4-aminocarbonyl-2-nitro-phenyl)methyl 3-(methylsulfinylmethyl)benzoate Openeye Name: (4-carbamoyl-2-nitro-phenyl)methyl 3-(methylsulfinylmethyl)benzoate CAS Name: 3-(methylsulfinylmethyl)benzoic acid (4-carbamoyl-2-nitrophenyl)methyl ester IUPAC Name: (4-carbamoyl-2-nitrophenyl)methyl 3-(methylsulfinylmethyl)benzoate Traditional Name: 3-(methylsulfinylmethyl)benzoic acid (4-carbamoyl-2-nitro-benzyl) ester Formula: C17H16N2O6S MolecularWeight: 376.38374

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N2O6S/c1-26(24)10-11-3-2-4-13(7-11)17(21)25-9-14-6-5-12(16(18)20)8-15(14)19(22)23/h2-8H,9-10H2,1H3,(H2,18,20)