[4-(methylcarbamoyl)phenyl] 2-(4-nitrophenyl)sulfanylpropanoate

Systemtic Name: [4-(methylcarbamoyl)phenyl] 2-(4-nitrophenyl)sulfanylpropanoate Openeye Name: [4-(methylcarbamoyl)phenyl] 2-(4-nitrophenyl)sulfanylpropanoate CAS Name: 2-[(4-nitrophenyl)thio]propanoic acid [4-(methylcarbamoyl)phenyl] ester IUPAC Name: [4-(methylcarbamoyl)phenyl] 2-(4-nitrophenyl)sulfanylpropanoate Traditional Name: 2-[(4-nitrophenyl)thio]propionic acid [4-(methylcarbamoyl)phenyl] ester Formula: C17H16N2O5S MolecularWeight: 360.38434

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC1=CC=C(C=C1)C(=O)NC)SC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)OC1=CC=C(C=C1)C(=O)NC)SC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H16N2O5S/c1-11(25-15-9-5-13(6-10-15)19(22)23)17(21)24-14-7-3-12(4-8-14)16(20)18-2/h3-11H,1-2H3,(H,18,20)