(3E)-5-azanyl-3-[(2Z)-1-cyano-2-(3-iodanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)ethylidene]-1-phenyl-pyrazolidine-4-carbonitrile

Systemtic Name: (3E)-5-azanyl-3-[(2Z)-1-cyano-2-(3-iodanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)ethylidene]-1-phenyl-pyrazolidine-4-carbonitrile Openeye Name: (3E)-5-amino-3-[(2Z)-1-cyano-2-(3-iodo-4-oxo-cyclohexa-2,5-dien-1-ylidene)ethylidene]-1-phenyl-pyrazolidine-4-carbonitrile CAS Name: (3E)-5-amino-3-[(2Z)-1-cyano-2-(3-iodo-4-oxo-1-cyclohexa-2,5-dienylidene)ethylidene]-1-phenyl-4-pyrazolidinecarbonitrile IUPAC Name: (3E)-5-amino-3-[(2Z)-1-cyano-2-(3-iodo-4-oxocyclohexa-2,5-dien-1-ylidene)ethylidene]-1-phenylpyrazolidine-4-carbonitrile Traditional Name: (3E)-5-amino-3-[(2Z)-1-cyano-2-(3-iodo-4-keto-cyclohexa-2,5-dien-1-ylidene)ethylidene]-1-phenyl-pyrazolidine-4-carbonitrile Formula: C19H14IN5O MolecularWeight: 455.25183

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(C(C(=C(C=C3C=CC(=O)C(=C3)I)C#N)N2)C#N)N

Isomeric SMILES

C1=CC=C(C=C1)N2C(C(/C(=C(/C=C\3/C=CC(=O)C(=C3)I)\C#N)/N2)C#N)N

InChI

InChI=1S/C19H14IN5O/c20-16-9-12(6-7-17(16)26)8-13(10-21)18-15(11-22)19(23)25(24-18)14-4-2-1-3-5-14/h1-9,15,19,24H,23H2/b12-8-,18-13+