4-[(E)-2-(benzotriazol-1-yl)-2-cyano-ethenyl]benzoic acid

Systemtic Name: 4-[(E)-2-(benzotriazol-1-yl)-2-cyano-ethenyl]benzoic acid Openeye Name: 4-[(E)-2-(benzotriazol-1-yl)-2-cyano-vinyl]benzoic acid CAS Name: 4-[(E)-2-(1-benzotriazolyl)-2-cyanoethenyl]benzoic acid IUPAC Name: 4-[(E)-2-(benzotriazol-1-yl)-2-cyanoethenyl]benzoic acid Traditional Name: 4-[(E)-2-(benzotriazol-1-yl)-2-cyano-vinyl]benzoic acid Formula: C16H10N4O2 MolecularWeight: 290.2762

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=NN2C(=CC3=CC=C(C=C3)C(=O)O)C#N

Isomeric SMILES

C1=CC=C2C(=C1)N=NN2/C(=C/C3=CC=C(C=C3)C(=O)O)/C#N

InChI

InChI=1S/C16H10N4O2/c17-10-13(9-11-5-7-12(8-6-11)16(21)22)20-15-4-2-1-3-14(15)18-19-20/h1-9H,(H,21,22)/b13-9+