ethanedioic acid; (1E)-1-(1H-imidazol-5-ylmethylidene)-2,3-dihydroindene-5-carbonitrile

Systemtic Name: ethanedioic acid; (1E)-1-(1H-imidazol-5-ylmethylidene)-2,3-dihydroindene-5-carbonitrile Openeye Name: (1E)-1-(1H-imidazol-5-ylmethylene)indane-5-carbonitrile; oxalic acid CAS Name: (1E)-1-(1H-imidazol-5-ylmethylidene)-2,3-dihydroindene-5-carbonitrile; oxalic acid IUPAC Name: (1E)-1-(1H-imidazol-5-ylmethylidene)-2,3-dihydroindene-5-carbonitrile; oxalic acid Traditional Name: (1E)-1-(1H-imidazol-5-ylmethylene)indane-5-carbonitrile; oxalic acid Formula: C16H13N3O4 MolecularWeight: 311.29212

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=CC2=CN=CN2)C3=C1C=C(C=C3)C#N.C(=O)(C(=O)O)O

Isomeric SMILES

C1C/C(=C\C2=CN=CN2)/C3=C1C=C(C=C3)C#N.C(=O)(C(=O)O)O

InChI

InChI=1S/C14H11N3.C2H2O4/c15-7-10-1-4-14-11(5-10)2-3-12(14)6-13-8-16-9-17-13;3-1(4)2(5)6/h1,4-6,8-9H,2-3H2,(H,16,17);(H,3,4)(H,5,6)/b12-6+;