[3-methyl-4-[2-(2-nitropyridin-3-yl)oxyethanoylamino]phenyl] thiocyanate

Systemtic Name: [3-methyl-4-[2-(2-nitropyridin-3-yl)oxyethanoylamino]phenyl] thiocyanate Openeye Name: [3-methyl-4-[[2-[(2-nitro-3-pyridyl)oxy]acetyl]amino]phenyl] thiocyanate CAS Name: thiocyanic acid [3-methyl-4-[[2-[(2-nitro-3-pyridinyl)oxy]-1-oxoethyl]amino]phenyl] ester IUPAC Name: [3-methyl-4-[[2-(2-nitropyridin-3-yl)oxyacetyl]amino]phenyl] thiocyanate Traditional Name: thiocyanic acid [3-methyl-4-[[2-[(2-nitro-3-pyridyl)oxy]acetyl]amino]phenyl] ester Formula: C15H12N4O4S MolecularWeight: 344.34518

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H12N4O4S/c1-10-7-11(24-9-16)4-5-12(10)18-14(20)8-23-13-3-2-6-17-15(13)19(21)22/h2-7H,8H2,1H3,(H,18,20)