2-(1-cyanoethoxycarbonyl)terephthalic acid; 2-phenyl-1H-imidazole

Systemtic Name: 2-(1-cyanoethoxycarbonyl)terephthalic acid; 2-phenyl-1H-imidazole Openeye Name: 2-(1-cyanoethoxycarbonyl)terephthalic acid; 2-phenyl-1H-imidazole CAS Name: 2-[1-cyanoethoxy(oxo)methyl]terephthalic acid; 2-phenyl-1H-imidazole IUPAC Name: 2-(1-cyanoethoxycarbonyl)terephthalic acid; 2-phenyl-1H-imidazole Traditional Name: 2-(1-cyanoethoxycarbonyl)terephthalic acid; 2-phenyl-1H-imidazole Formula: C21H17N3O6 MolecularWeight: 407.37618

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)OC(=O)C1=C(C=CC(=C1)C(=O)O)C(=O)O.C1=CC=C(C=C1)C2=NC=CN2

Isomeric SMILES

CC(C#N)OC(=O)C1=C(C=CC(=C1)C(=O)O)C(=O)O.C1=CC=C(C=C1)C2=NC=CN2

InChI

InChI=1S/C12H9NO6.C9H8N2/c1-6(5-13)19-12(18)9-4-7(10(14)15)2-3-8(9)11(16)17;1-2-4-8(5-3-1)9-10-6-7-11-9/h2-4,6H,1H3,(H,14,15)(H,16,17);1-7H,(H,10,11)