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

Systemtic Name: [4-[2-(4-methoxy-2-nitro-phenoxy)ethanoylamino]-3-methyl-phenyl] thiocyanate Openeye Name: [4-[[2-(4-methoxy-2-nitro-phenoxy)acetyl]amino]-3-methyl-phenyl] thiocyanate CAS Name: thiocyanic acid [4-[[2-(4-methoxy-2-nitrophenoxy)-1-oxoethyl]amino]-3-methylphenyl] ester IUPAC Name: [4-[[2-(4-methoxy-2-nitrophenoxy)acetyl]amino]-3-methylphenyl] thiocyanate Traditional Name: thiocyanic acid [4-[[2-(4-methoxy-2-nitro-phenoxy)acetyl]amino]-3-methyl-phenyl] ester Formula: C17H15N3O5S MolecularWeight: 373.3831

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15N3O5S/c1-11-7-13(26-10-18)4-5-14(11)19-17(21)9-25-16-6-3-12(24-2)8-15(16)20(22)23/h3-8H,9H2,1-2H3,(H,19,21)