(Z)-2-(1,3-benzoxazol-2-ylsulfanyl)-3-(5-nitro-2-oxidanidyl-phenyl)prop-2-enoate

Systemtic Name: (Z)-2-(1,3-benzoxazol-2-ylsulfanyl)-3-(5-nitro-2-oxidanidyl-phenyl)prop-2-enoate Openeye Name: (Z)-2-(1,3-benzoxazol-2-ylsulfanyl)-3-(5-nitro-2-oxido-phenyl)prop-2-enoate CAS Name: (Z)-2-(1,3-benzoxazol-2-ylthio)-3-(5-nitro-2-oxidophenyl)-2-propenoate IUPAC Name: (Z)-2-(1,3-benzoxazol-2-ylsulfanyl)-3-(5-nitro-2-oxidophenyl)prop-2-enoate Traditional Name: (Z)-2-(1,3-benzoxazol-2-ylthio)-3-(5-nitro-2-oxido-phenyl)acrylate Formula: C16H8N2O6S-2 MolecularWeight: 356.30952

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(O2)SC(=CC3=C(C=CC(=C3)[N+](=O)[O-])[O-])C(=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(O2)S/C(=C\C3=C(C=CC(=C3)[N+](=O)[O-])[O-])/C(=O)[O-]

InChI

InChI=1S/C16H10N2O6S/c19-12-6-5-10(18(22)23)7-9(12)8-14(15(20)21)25-16-17-11-3-1-2-4-13(11)24-16/h1-8,19H,(H,20,21)/p-2/b14-8-