(E)-2-cyano-3-(2-phenyl-1,2,3-triazol-4-yl)prop-2-enoic acid

Systemtic Name: (E)-2-cyano-3-(2-phenyl-1,2,3-triazol-4-yl)prop-2-enoic acid Openeye Name: (E)-2-cyano-3-(2-phenyltriazol-4-yl)prop-2-enoic acid CAS Name: (E)-2-cyano-3-(2-phenyl-4-triazolyl)-2-propenoic acid IUPAC Name: (E)-2-cyano-3-(2-phenyltriazol-4-yl)prop-2-enoic acid Traditional Name: (E)-2-cyano-3-(2-phenyltriazol-4-yl)acrylic acid Formula: C12H8N4O2 MolecularWeight: 240.21752

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2N=CC(=N2)C=C(C#N)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)N2N=CC(=N2)/C=C(\C#N)/C(=O)O

InChI

InChI=1S/C12H8N4O2/c13-7-9(12(17)18)6-10-8-14-16(15-10)11-4-2-1-3-5-11/h1-6,8H,(H,17,18)/b9-6+