(4-acetamido-8-nitro-naphthalen-1-yl) thiocyanate

Systemtic Name: (4-acetamido-8-nitro-naphthalen-1-yl) thiocyanate Openeye Name: (4-acetamido-8-nitro-1-naphthyl) thiocyanate CAS Name: thiocyanic acid (4-acetamido-8-nitro-1-naphthalenyl) ester IUPAC Name: (4-acetamido-8-nitronaphthalen-1-yl) thiocyanate Traditional Name: thiocyanic acid (4-acetamido-8-nitro-1-naphthyl) ester Formula: C13H9N3O3S MolecularWeight: 287.29386

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C2C=CC=C(C2=C(C=C1)SC#N)[N+](=O)[O-]

Isomeric SMILES

CC(=O)NC1=C2C=CC=C(C2=C(C=C1)SC#N)[N+](=O)[O-]

InChI

InChI=1S/C13H9N3O3S/c1-8(17)15-10-5-6-12(20-7-14)13-9(10)3-2-4-11(13)16(18)19/h2-6H,1H3,(H,15,17)