(Z)-2-(1,3-benzoxazol-2-ylsulfanyl)-3-(5-nitro-2-oxidanyl-phenyl)prop-2-enoic acid

Systemtic Name: (Z)-2-(1,3-benzoxazol-2-ylsulfanyl)-3-(5-nitro-2-oxidanyl-phenyl)prop-2-enoic acid Openeye Name: (Z)-2-(1,3-benzoxazol-2-ylsulfanyl)-3-(2-hydroxy-5-nitro-phenyl)prop-2-enoic acid CAS Name: (Z)-2-(1,3-benzoxazol-2-ylthio)-3-(2-hydroxy-5-nitrophenyl)-2-propenoic acid IUPAC Name: (Z)-2-(1,3-benzoxazol-2-ylsulfanyl)-3-(2-hydroxy-5-nitrophenyl)prop-2-enoic acid Traditional Name: (Z)-2-(1,3-benzoxazol-2-ylthio)-3-(2-hydroxy-5-nitro-phenyl)acrylic acid Formula: C16H10N2O6S MolecularWeight: 358.3254

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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)/b14-8-