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

Systemtic Name: [4-[2-(2-chloranyl-4-nitro-phenoxy)ethanoylamino]-3-methyl-phenyl] thiocyanate Openeye Name: [4-[[2-(2-chloro-4-nitro-phenoxy)acetyl]amino]-3-methyl-phenyl] thiocyanate CAS Name: thiocyanic acid [4-[[2-(2-chloro-4-nitrophenoxy)-1-oxoethyl]amino]-3-methylphenyl] ester IUPAC Name: [4-[[2-(2-chloro-4-nitrophenoxy)acetyl]amino]-3-methylphenyl] thiocyanate Traditional Name: thiocyanic acid [4-[[2-(2-chloro-4-nitro-phenoxy)acetyl]amino]-3-methyl-phenyl] ester Formula: C16H12ClN3O4S MolecularWeight: 377.80218

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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)[N+](=O)[O-])Cl

Isomeric SMILES

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

InChI

InChI=1S/C16H12ClN3O4S/c1-10-6-12(25-9-18)3-4-14(10)19-16(21)8-24-15-5-2-11(20(22)23)7-13(15)17/h2-7H,8H2,1H3,(H,19,21)