3-(3-chloranyl-5-nitro-phenyl)-5-(2-isothiocyanatoethyl)-4,5-dihydro-1,2-oxazole

Systemtic Name: 3-(3-chloranyl-5-nitro-phenyl)-5-(2-isothiocyanatoethyl)-4,5-dihydro-1,2-oxazole Openeye Name: 3-(3-chloro-5-nitro-phenyl)-5-(2-isothiocyanatoethyl)-4,5-dihydroisoxazole CAS Name: 3-(3-chloro-5-nitrophenyl)-5-(2-isothiocyanatoethyl)-4,5-dihydroisoxazole IUPAC Name: 3-(3-chloro-5-nitrophenyl)-5-(2-isothiocyanatoethyl)-4,5-dihydro-1,2-oxazole Traditional Name: 3-(3-chloro-5-nitro-phenyl)-5-(2-isothiocyanatoethyl)-2-isoxazoline Formula: C12H10ClN3O3S MolecularWeight: 311.7441

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Descriptors Computed from Structure

Canonical SMILES:

C1C(ON=C1C2=CC(=CC(=C2)Cl)[N+](=O)[O-])CCN=C=S

Isomeric SMILES

C1C(ON=C1C2=CC(=CC(=C2)Cl)[N+](=O)[O-])CCN=C=S

InChI

InChI=1S/C12H10ClN3O3S/c13-9-3-8(4-10(5-9)16(17)18)12-6-11(19-15-12)1-2-14-7-20/h3-5,11H,1-2,6H2