N-[4-acetamido-2-(2-hydroxyethylsulfanyl)-5-nitro-phenyl]ethanamide

Systemtic Name: N-[4-acetamido-2-(2-hydroxyethylsulfanyl)-5-nitro-phenyl]ethanamide Openeye Name: N-[4-acetamido-2-(2-hydroxyethylsulfanyl)-5-nitro-phenyl]acetamide CAS Name: N-[4-acetamido-2-(2-hydroxyethylthio)-5-nitrophenyl]acetamide IUPAC Name: N-[4-acetamido-2-(2-hydroxyethylsulfanyl)-5-nitrophenyl]acetamide Traditional Name: N-[4-acetamido-2-(2-hydroxyethylthio)-5-nitro-phenyl]acetamide Formula: C12H15N3O5S MolecularWeight: 313.3296

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=C(C=C1SCCO)NC(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC(=O)NC1=CC(=C(C=C1SCCO)NC(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C12H15N3O5S/c1-7(17)13-9-6-12(21-4-3-16)10(14-8(2)18)5-11(9)15(19)20/h5-6,16H,3-4H2,1-2H3,(H,13,17)(H,14,18)