5-(isothiocyanatomethyl)-3-(4-nitrophenyl)-4,5-dihydro-1,2-oxazole

Systemtic Name: 5-(isothiocyanatomethyl)-3-(4-nitrophenyl)-4,5-dihydro-1,2-oxazole Openeye Name: 5-(isothiocyanatomethyl)-3-(4-nitrophenyl)-4,5-dihydroisoxazole CAS Name: 5-(isothiocyanatomethyl)-3-(4-nitrophenyl)-4,5-dihydroisoxazole IUPAC Name: 5-(isothiocyanatomethyl)-3-(4-nitrophenyl)-4,5-dihydro-1,2-oxazole Traditional Name: 5-(isothiocyanatomethyl)-3-(4-nitrophenyl)-2-isoxazoline Formula: C11H9N3O3S MolecularWeight: 263.27246

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H9N3O3S/c15-14(16)9-3-1-8(2-4-9)11-5-10(17-13-11)6-12-7-18/h1-4,10H,5-6H2