ethanedioic acid; (8Z)-8-(1H-imidazol-5-ylmethylidene)-6,7-dihydro-5H-naphthalene-2-carbonitrile

Systemtic Name: ethanedioic acid; (8Z)-8-(1H-imidazol-5-ylmethylidene)-6,7-dihydro-5H-naphthalene-2-carbonitrile Openeye Name: (4Z)-4-(1H-imidazol-5-ylmethylene)tetralin-6-carbonitrile; oxalic acid CAS Name: (8Z)-8-(1H-imidazol-5-ylmethylidene)-6,7-dihydro-5H-naphthalene-2-carbonitrile; oxalic acid IUPAC Name: (8Z)-8-(1H-imidazol-5-ylmethylidene)-6,7-dihydro-5H-naphthalene-2-carbonitrile; oxalic acid Traditional Name: (4Z)-4-(1H-imidazol-5-ylmethylene)tetralin-6-carbonitrile; oxalic acid Formula: C17H15N3O4 MolecularWeight: 325.3187

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=C(C=C2)C#N)C(=CC3=CN=CN3)C1.C(=O)(C(=O)O)O

Isomeric SMILES

C1CC2=C(C=C(C=C2)C#N)/C(=C\C3=CN=CN3)/C1.C(=O)(C(=O)O)O

InChI

InChI=1S/C15H13N3.C2H2O4/c16-8-11-4-5-12-2-1-3-13(15(12)6-11)7-14-9-17-10-18-14;3-1(4)2(5)6/h4-7,9-10H,1-3H2,(H,17,18);(H,3,4)(H,5,6)/b13-7-;