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

Systemtic Name: [4-[2-(2-chloranyl-4-nitro-phenoxy)ethanoylamino]-3,5-dimethyl-phenyl] thiocyanate Openeye Name: [4-[[2-(2-chloro-4-nitro-phenoxy)acetyl]amino]-3,5-dimethyl-phenyl] thiocyanate CAS Name: thiocyanic acid [4-[[2-(2-chloro-4-nitrophenoxy)-1-oxoethyl]amino]-3,5-dimethylphenyl] ester IUPAC Name: [4-[[2-(2-chloro-4-nitrophenoxy)acetyl]amino]-3,5-dimethylphenyl] thiocyanate Traditional Name: thiocyanic acid [4-[[2-(2-chloro-4-nitro-phenoxy)acetyl]amino]-3,5-dimethyl-phenyl] ester Formula: C17H14ClN3O4S MolecularWeight: 391.82876

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14ClN3O4S/c1-10-5-13(26-9-19)6-11(2)17(10)20-16(22)8-25-15-4-3-12(21(23)24)7-14(15)18/h3-7H,8H2,1-2H3,(H,20,22)