3-(3-cyanophenyl)-4-oxidanylidene-imidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide

Systemtic Name: 3-(3-cyanophenyl)-4-oxidanylidene-imidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide Openeye Name: 3-(3-cyanophenyl)-4-oxo-imidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide CAS Name: 3-(3-cyanophenyl)-4-oxo-8-imidazo[5,1-d][1,2,3,5]tetrazinecarboxamide IUPAC Name: 3-(3-cyanophenyl)-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide Traditional Name: 3-(3-cyanophenyl)-4-keto-imidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide Formula: C12H7N7O2 MolecularWeight: 281.22968

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)N2C(=O)N3C=NC(=C3N=N2)C(=O)N)C#N

Isomeric SMILES

C1=CC(=CC(=C1)N2C(=O)N3C=NC(=C3N=N2)C(=O)N)C#N

InChI

InChI=1S/C12H7N7O2/c13-5-7-2-1-3-8(4-7)19-12(21)18-6-15-9(10(14)20)11(18)16-17-19/h1-4,6H,(H2,14,20)