2-[(4-acetamido-2-nitro-phenyl)amino]ethyl thiocyanate

Systemtic Name: 2-[(4-acetamido-2-nitro-phenyl)amino]ethyl thiocyanate Openeye Name: 2-(4-acetamido-2-nitro-anilino)ethyl thiocyanate CAS Name: thiocyanic acid 2-(4-acetamido-2-nitroanilino)ethyl ester IUPAC Name: 2-(4-acetamido-2-nitroanilino)ethyl thiocyanate Traditional Name: thiocyanic acid 2-(4-acetamido-2-nitro-anilino)ethyl ester Formula: C11H12N4O3S MolecularWeight: 280.30298

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H12N4O3S/c1-8(16)14-9-2-3-10(11(6-9)15(17)18)13-4-5-19-7-12/h2-3,6,13H,4-5H2,1H3,(H,14,16)