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

Systemtic Name: N-[2-(2-acetamido-4-nitro-phenyl)sulfanylethyl]ethanamide Openeye Name: N-[2-(2-acetamido-4-nitro-phenyl)sulfanylethyl]acetamide CAS Name: N-[2-[(2-acetamido-4-nitrophenyl)thio]ethyl]acetamide IUPAC Name: N-[2-(2-acetamido-4-nitrophenyl)sulfanylethyl]acetamide Traditional Name: N-[2-[(2-acetamido-4-nitro-phenyl)thio]ethyl]acetamide Formula: C12H15N3O4S MolecularWeight: 297.3302

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCSC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C

Isomeric SMILES

CC(=O)NCCSC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C

InChI

InChI=1S/C12H15N3O4S/c1-8(16)13-5-6-20-12-4-3-10(15(18)19)7-11(12)14-9(2)17/h3-4,7H,5-6H2,1-2H3,(H,13,16)(H,14,17)