[4-[2-(5-fluoranyl-2-nitro-phenoxy)ethanoylamino]-3-methyl-phenyl] thiocyanate

Systemtic Name: [4-[2-(5-fluoranyl-2-nitro-phenoxy)ethanoylamino]-3-methyl-phenyl] thiocyanate Openeye Name: [4-[[2-(5-fluoro-2-nitro-phenoxy)acetyl]amino]-3-methyl-phenyl] thiocyanate CAS Name: thiocyanic acid [4-[[2-(5-fluoro-2-nitrophenoxy)-1-oxoethyl]amino]-3-methylphenyl] ester IUPAC Name: [4-[[2-(5-fluoro-2-nitrophenoxy)acetyl]amino]-3-methylphenyl] thiocyanate Traditional Name: thiocyanic acid [4-[[2-(5-fluoro-2-nitro-phenoxy)acetyl]amino]-3-methyl-phenyl] ester Formula: C16H12FN3O4S MolecularWeight: 361.347583

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)SC#N)NC(=O)COC2=C(C=CC(=C2)F)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)SC#N)NC(=O)COC2=C(C=CC(=C2)F)[N+](=O)[O-]

InChI

InChI=1S/C16H12FN3O4S/c1-10-6-12(25-9-18)3-4-13(10)19-16(21)8-24-15-7-11(17)2-5-14(15)20(22)23/h2-7H,8H2,1H3,(H,19,21)