[(1S,2R)-2-cyano-1-(4-nitrophenyl)-3-oxidanylidene-propyl] thiocyanate

Systemtic Name: [(1S,2R)-2-cyano-1-(4-nitrophenyl)-3-oxidanylidene-propyl] thiocyanate Openeye Name: [(1S,2R)-2-cyano-1-(4-nitrophenyl)-3-oxo-propyl] thiocyanate CAS Name: thiocyanic acid [(1S,2R)-2-cyano-1-(4-nitrophenyl)-3-oxopropyl] ester IUPAC Name: [(1S,2R)-2-cyano-1-(4-nitrophenyl)-3-oxopropyl] thiocyanate Traditional Name: thiocyanic acid [(1S,2R)-2-cyano-3-keto-1-(4-nitrophenyl)propyl] ester Formula: C11H7N3O3S MolecularWeight: 261.25658

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(C(C=O)C#N)SC#N)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C11H7N3O3S/c12-5-9(6-15)11(18-7-13)8-1-3-10(4-2-8)14(16)17/h1-4,6,9,11H/t9-,11-/m1/s1