(E)-2-cyano-3-(3-nitro-4-oxidanyl-phenyl)-N-(1,3-thiazol-2-yl)prop-2-enamide

Systemtic Name: (E)-2-cyano-3-(3-nitro-4-oxidanyl-phenyl)-N-(1,3-thiazol-2-yl)prop-2-enamide Openeye Name: (E)-2-cyano-3-(4-hydroxy-3-nitro-phenyl)-N-thiazol-2-yl-prop-2-enamide CAS Name: (E)-2-cyano-3-(4-hydroxy-3-nitrophenyl)-N-(2-thiazolyl)-2-propenamide IUPAC Name: (E)-2-cyano-3-(4-hydroxy-3-nitrophenyl)-N-(1,3-thiazol-2-yl)prop-2-enamide Traditional Name: (E)-2-cyano-3-(4-hydroxy-3-nitro-phenyl)-N-thiazol-2-yl-acrylamide Formula: C13H8N4O4S MolecularWeight: 316.29202

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C=C(C#N)C(=O)NC2=NC=CS2)[N+](=O)[O-])O

Isomeric SMILES

C1=CC(=C(C=C1/C=C(\C#N)/C(=O)NC2=NC=CS2)[N+](=O)[O-])O

InChI

InChI=1S/C13H8N4O4S/c14-7-9(12(19)16-13-15-3-4-22-13)5-8-1-2-11(18)10(6-8)17(20)21/h1-6,18H,(H,15,16,19)/b9-5+