1-[4-(1,3-benzoxazol-2-ylsulfanyl)-3-nitro-phenyl]ethanone

Systemtic Name: 1-[4-(1,3-benzoxazol-2-ylsulfanyl)-3-nitro-phenyl]ethanone Openeye Name: 1-[4-(1,3-benzoxazol-2-ylsulfanyl)-3-nitro-phenyl]ethanone CAS Name: 1-[4-(1,3-benzoxazol-2-ylthio)-3-nitrophenyl]ethanone IUPAC Name: 1-[4-(1,3-benzoxazol-2-ylsulfanyl)-3-nitrophenyl]ethanone Traditional Name: 1-[4-(1,3-benzoxazol-2-ylthio)-3-nitro-phenyl]ethanone Formula: C15H10N2O4S MolecularWeight: 314.3159

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)SC2=NC3=CC=CC=C3O2)[N+](=O)[O-]

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)SC2=NC3=CC=CC=C3O2)[N+](=O)[O-]

InChI

InChI=1S/C15H10N2O4S/c1-9(18)10-6-7-14(12(8-10)17(19)20)22-15-16-11-4-2-3-5-13(11)21-15/h2-8H,1H3