[2-[(4-nitrophenyl)amino]-2-oxidanylidene-ethyl] thiocyanate

Systemtic Name: [2-[(4-nitrophenyl)amino]-2-oxidanylidene-ethyl] thiocyanate Openeye Name: [2-(4-nitroanilino)-2-oxo-ethyl] thiocyanate CAS Name: thiocyanic acid [2-(4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-nitroanilino)-2-oxoethyl] thiocyanate Traditional Name: thiocyanic acid [2-keto-2-(4-nitroanilino)ethyl] ester Formula: C9H7N3O3S MolecularWeight: 237.23518

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=O)CSC#N)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1NC(=O)CSC#N)[N+](=O)[O-]

InChI

InChI=1S/C9H7N3O3S/c10-6-16-5-9(13)11-7-1-3-8(4-2-7)12(14)15/h1-4H,5H2,(H,11,13)