(Z)-2-(1,3-benzoxazol-2-ylsulfanyl)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoate

Systemtic Name: (Z)-2-(1,3-benzoxazol-2-ylsulfanyl)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoate Openeye Name: (Z)-2-(1,3-benzoxazol-2-ylsulfanyl)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoate CAS Name: (Z)-2-(1,3-benzoxazol-2-ylthio)-3-(6-nitro-1,3-benzodioxol-5-yl)-2-propenoate IUPAC Name: (Z)-2-(1,3-benzoxazol-2-ylsulfanyl)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoate Traditional Name: (Z)-2-(1,3-benzoxazol-2-ylthio)-3-(6-nitro-1,3-benzodioxol-5-yl)acrylate Formula: C17H9N2O7S- MolecularWeight: 385.32756

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)C=C(C(=O)[O-])SC3=NC4=CC=CC=C4O3)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)/C=C(/C(=O)[O-])\SC3=NC4=CC=CC=C4O3)[N+](=O)[O-]

InChI

InChI=1S/C17H10N2O7S/c20-16(21)15(27-17-18-10-3-1-2-4-12(10)26-17)6-9-5-13-14(25-8-24-13)7-11(9)19(22)23/h1-7H,8H2,(H,20,21)/p-1/b15-6-