1-[7-(cyanomethyl)-3-oxidanylidene-1,2-dihydroinden-2-yl]imidazole-2-carboxylate

Systemtic Name: 1-[7-(cyanomethyl)-3-oxidanylidene-1,2-dihydroinden-2-yl]imidazole-2-carboxylate Openeye Name: 1-[4-(cyanomethyl)-1-oxo-indan-2-yl]imidazole-2-carboxylate CAS Name: 1-[7-(cyanomethyl)-3-oxo-1,2-dihydroinden-2-yl]-2-imidazolecarboxylate IUPAC Name: 1-[7-(cyanomethyl)-3-oxo-1,2-dihydroinden-2-yl]imidazole-2-carboxylate Traditional Name: 1-[4-(cyanomethyl)-1-keto-indan-2-yl]imidazole-2-carboxylate Formula: C15H10N3O3- MolecularWeight: 280.2582

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)C2=C1C(=CC=C2)CC#N)N3C=CN=C3C(=O)[O-]

Isomeric SMILES

C1C(C(=O)C2=C1C(=CC=C2)CC#N)N3C=CN=C3C(=O)[O-]

InChI

InChI=1S/C15H11N3O3/c16-5-4-9-2-1-3-10-11(9)8-12(13(10)19)18-7-6-17-14(18)15(20)21/h1-3,6-7,12H,4,8H2,(H,20,21)/p-1