[4-[2-(4-methoxy-2-nitro-phenoxy)ethanoylamino]-3,5-dimethyl-phenyl] thiocyanate

Systemtic Name: [4-[2-(4-methoxy-2-nitro-phenoxy)ethanoylamino]-3,5-dimethyl-phenyl] thiocyanate Openeye Name: [4-[[2-(4-methoxy-2-nitro-phenoxy)acetyl]amino]-3,5-dimethyl-phenyl] thiocyanate CAS Name: thiocyanic acid [4-[[2-(4-methoxy-2-nitrophenoxy)-1-oxoethyl]amino]-3,5-dimethylphenyl] ester IUPAC Name: [4-[[2-(4-methoxy-2-nitrophenoxy)acetyl]amino]-3,5-dimethylphenyl] thiocyanate Traditional Name: thiocyanic acid [4-[[2-(4-methoxy-2-nitro-phenoxy)acetyl]amino]-3,5-dimethyl-phenyl] ester Formula: C18H17N3O5S MolecularWeight: 387.40968

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17N3O5S/c1-11-6-14(27-10-19)7-12(2)18(11)20-17(22)9-26-16-5-4-13(25-3)8-15(16)21(23)24/h4-8H,9H2,1-3H3,(H,20,22)