1-isothiocyanato-2-(2-nitrophenyl)ethanone

Systemtic Name: 1-isothiocyanato-2-(2-nitrophenyl)ethanone Openeye Name: 2-(2-nitrophenyl)acetyl isothiocyanate CAS Name: 1-isothiocyanato-2-(2-nitrophenyl)ethanone IUPAC Name: 2-(2-nitrophenyl)acetyl isothiocyanate Traditional Name: 1-isothiocyanato-2-(2-nitrophenyl)ethanone Formula: C9H6N2O3S MolecularWeight: 222.22054

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H6N2O3S/c12-9(10-6-15)5-7-3-1-2-4-8(7)11(13)14/h1-4H,5H2