[2-(3-nitrophenyl)-2-oxidanylidene-ethyl] thiocyanate

Systemtic Name: [2-(3-nitrophenyl)-2-oxidanylidene-ethyl] thiocyanate Openeye Name: [2-(3-nitrophenyl)-2-oxo-ethyl] thiocyanate CAS Name: thiocyanic acid [2-(3-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(3-nitrophenyl)-2-oxoethyl] thiocyanate Traditional Name: thiocyanic acid [2-keto-2-(3-nitrophenyl)ethyl] ester Formula: C9H6N2O3S MolecularWeight: 222.22054

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H6N2O3S/c10-6-15-5-9(12)7-2-1-3-8(4-7)11(13)14/h1-4H,5H2