2-(2-methylimidazol-1-yl)carbonylterephthalate

Systemtic Name: 2-(2-methylimidazol-1-yl)carbonylterephthalate Openeye Name: 2-(2-methylimidazole-1-carbonyl)terephthalate CAS Name: 2-[(2-methyl-1-imidazolyl)-oxomethyl]terephthalate IUPAC Name: 2-(2-methylimidazole-1-carbonyl)terephthalate Traditional Name: 2-(2-methylimidazole-1-carbonyl)terephthalate Formula: C13H8N2O5-2 MolecularWeight: 272.21302

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=CN1C(=O)C2=C(C=CC(=C2)C(=O)[O-])C(=O)[O-]

Isomeric SMILES

CC1=NC=CN1C(=O)C2=C(C=CC(=C2)C(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C13H10N2O5/c1-7-14-4-5-15(7)11(16)10-6-8(12(17)18)2-3-9(10)13(19)20/h2-6H,1H3,(H,17,18)(H,19,20)/p-2