(4-acetamido-3-nitro-phenyl) thiocyanate

Systemtic Name: (4-acetamido-3-nitro-phenyl) thiocyanate Openeye Name: (4-acetamido-3-nitro-phenyl) thiocyanate CAS Name: thiocyanic acid (4-acetamido-3-nitrophenyl) ester IUPAC Name: (4-acetamido-3-nitrophenyl) thiocyanate Traditional Name: thiocyanic acid (4-acetamido-3-nitro-phenyl) ester Formula: C9H7N3O3S MolecularWeight: 237.23518

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=C(C=C1)SC#N)[N+](=O)[O-]

Isomeric SMILES

CC(=O)NC1=C(C=C(C=C1)SC#N)[N+](=O)[O-]

InChI

InChI=1S/C9H7N3O3S/c1-6(13)11-8-3-2-7(16-5-10)4-9(8)12(14)15/h2-4H,1H3,(H,11,13)