3,6-dimethyl-4-oxidanylidene-7-phenyl-pyrrolo[2,1-d][1,2,3,5]tetrazine-8-carbonitrile

Systemtic Name: 3,6-dimethyl-4-oxidanylidene-7-phenyl-pyrrolo[2,1-d][1,2,3,5]tetrazine-8-carbonitrile Openeye Name: 3,6-dimethyl-4-oxo-7-phenyl-pyrrolo[2,1-d][1,2,3,5]tetrazine-8-carbonitrile CAS Name: 3,6-dimethyl-4-oxo-7-phenyl-8-pyrrolo[2,1-d][1,2,3,5]tetrazinecarbonitrile IUPAC Name: 3,6-dimethyl-4-oxo-7-phenylpyrrolo[2,1-d][1,2,3,5]tetrazine-8-carbonitrile Traditional Name: 4-keto-3,6-dimethyl-7-phenyl-pyrrolo[2,1-d][1,2,3,5]tetrazine-8-carbonitrile Formula: C14H11N5O MolecularWeight: 265.27004

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C2N1C(=O)N(N=N2)C)C#N)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=C2N1C(=O)N(N=N2)C)C#N)C3=CC=CC=C3

InChI

InChI=1S/C14H11N5O/c1-9-12(10-6-4-3-5-7-10)11(8-15)13-16-17-18(2)14(20)19(9)13/h3-7H,1-2H3