2-(2-cyanoethoxycarbonyl)-6-(1-phenylimidazol-2-yl)terephthalic acid

Systemtic Name: 2-(2-cyanoethoxycarbonyl)-6-(1-phenylimidazol-2-yl)terephthalic acid Openeye Name: 2-(2-cyanoethoxycarbonyl)-6-(1-phenylimidazol-2-yl)terephthalic acid CAS Name: 2-[2-cyanoethoxy(oxo)methyl]-6-(1-phenyl-2-imidazolyl)terephthalic acid IUPAC Name: 2-(2-cyanoethoxycarbonyl)-6-(1-phenylimidazol-2-yl)terephthalic acid Traditional Name: 2-(2-cyanoethoxycarbonyl)-6-(1-phenylimidazol-2-yl)terephthalic acid Formula: C21H15N3O6 MolecularWeight: 405.3603

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=CN=C2C3=CC(=CC(=C3C(=O)O)C(=O)OCCC#N)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)N2C=CN=C2C3=CC(=CC(=C3C(=O)O)C(=O)OCCC#N)C(=O)O

InChI

InChI=1S/C21H15N3O6/c22-7-4-10-30-21(29)16-12-13(19(25)26)11-15(17(16)20(27)28)18-23-8-9-24(18)14-5-2-1-3-6-14/h1-3,5-6,8-9,11-12H,4,10H2,(H,25,26)(H,27,28)