(Z)-3-(benzotriazol-1-yl)-2-cyano-pent-2-enoic acid

Systemtic Name: (Z)-3-(benzotriazol-1-yl)-2-cyano-pent-2-enoic acid Openeye Name: (Z)-3-(benzotriazol-1-yl)-2-cyano-pent-2-enoic acid CAS Name: (Z)-3-(1-benzotriazolyl)-2-cyano-2-pentenoic acid IUPAC Name: (Z)-3-(benzotriazol-1-yl)-2-cyanopent-2-enoic acid Traditional Name: (Z)-3-(benzotriazol-1-yl)-2-cyano-pent-2-enoic acid Formula: C12H10N4O2 MolecularWeight: 242.2334

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=C(C#N)C(=O)O)N1C2=CC=CC=C2N=N1

Isomeric SMILES

CC/C(=C(\C#N)/C(=O)O)/N1C2=CC=CC=C2N=N1

InChI

InChI=1S/C12H10N4O2/c1-2-10(8(7-13)12(17)18)16-11-6-4-3-5-9(11)14-15-16/h3-6H,2H2,1H3,(H,17,18)/b10-8-