[3,5-dimethyl-4-[2-(2-nitropyridin-3-yl)oxyethanoylamino]phenyl] thiocyanate

Systemtic Name: [3,5-dimethyl-4-[2-(2-nitropyridin-3-yl)oxyethanoylamino]phenyl] thiocyanate Openeye Name: [3,5-dimethyl-4-[[2-[(2-nitro-3-pyridyl)oxy]acetyl]amino]phenyl] thiocyanate CAS Name: thiocyanic acid [3,5-dimethyl-4-[[2-[(2-nitro-3-pyridinyl)oxy]-1-oxoethyl]amino]phenyl] ester IUPAC Name: [3,5-dimethyl-4-[[2-(2-nitropyridin-3-yl)oxyacetyl]amino]phenyl] thiocyanate Traditional Name: thiocyanic acid [3,5-dimethyl-4-[[2-[(2-nitro-3-pyridyl)oxy]acetyl]amino]phenyl] ester Formula: C16H14N4O4S MolecularWeight: 358.37176

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1NC(=O)COC2=C(N=CC=C2)[N+](=O)[O-])C)SC#N

Isomeric SMILES

CC1=CC(=CC(=C1NC(=O)COC2=C(N=CC=C2)[N+](=O)[O-])C)SC#N

InChI

InChI=1S/C16H14N4O4S/c1-10-6-12(25-9-17)7-11(2)15(10)19-14(21)8-24-13-4-3-5-18-16(13)20(22)23/h3-7H,8H2,1-2H3,(H,19,21)