[3,5-dimethyl-4-[2-(4-nitrophenoxy)ethanoylamino]phenyl] thiocyanate

Systemtic Name: [3,5-dimethyl-4-[2-(4-nitrophenoxy)ethanoylamino]phenyl] thiocyanate Openeye Name: [3,5-dimethyl-4-[[2-(4-nitrophenoxy)acetyl]amino]phenyl] thiocyanate CAS Name: thiocyanic acid [3,5-dimethyl-4-[[2-(4-nitrophenoxy)-1-oxoethyl]amino]phenyl] ester IUPAC Name: [3,5-dimethyl-4-[[2-(4-nitrophenoxy)acetyl]amino]phenyl] thiocyanate Traditional Name: thiocyanic acid [3,5-dimethyl-4-[[2-(4-nitrophenoxy)acetyl]amino]phenyl] ester Formula: C17H15N3O4S MolecularWeight: 357.3837

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15N3O4S/c1-11-7-15(25-10-18)8-12(2)17(11)19-16(21)9-24-14-5-3-13(4-6-14)20(22)23/h3-8H,9H2,1-2H3,(H,19,21)