4-[(4-chlorophenyl)methylsulfanyl]-3-(1,3-dioxolan-2-yl)-6-nitro-1,2-benzoxazole

Systemtic Name: 4-[(4-chlorophenyl)methylsulfanyl]-3-(1,3-dioxolan-2-yl)-6-nitro-1,2-benzoxazole Openeye Name: 4-[(4-chlorophenyl)methylsulfanyl]-3-(1,3-dioxolan-2-yl)-6-nitro-1,2-benzoxazole CAS Name: 4-[(4-chlorophenyl)methylthio]-3-(1,3-dioxolan-2-yl)-6-nitro-1,2-benzoxazole IUPAC Name: 4-[(4-chlorophenyl)methylsulfanyl]-3-(1,3-dioxolan-2-yl)-6-nitro-1,2-benzoxazole Traditional Name: 4-[(4-chlorobenzyl)thio]-3-(1,3-dioxolan-2-yl)-6-nitro-indoxazene Formula: C17H13ClN2O5S MolecularWeight: 392.81352

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Descriptors Computed from Structure

Canonical SMILES:

C1COC(O1)C2=NOC3=C2C(=CC(=C3)[N+](=O)[O-])SCC4=CC=C(C=C4)Cl

Isomeric SMILES

C1COC(O1)C2=NOC3=C2C(=CC(=C3)[N+](=O)[O-])SCC4=CC=C(C=C4)Cl

InChI

InChI=1S/C17H13ClN2O5S/c18-11-3-1-10(2-4-11)9-26-14-8-12(20(21)22)7-13-15(14)16(19-25-13)17-23-5-6-24-17/h1-4,7-8,17H,5-6,9H2