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

Systemtic Name: 3,7-dimethyl-4-oxidanylidene-6-phenyl-pyrrolo[2,1-d][1,2,3,5]tetrazine-8-carbonitrile Openeye Name: 3,7-dimethyl-4-oxo-6-phenyl-pyrrolo[2,1-d][1,2,3,5]tetrazine-8-carbonitrile CAS Name: 3,7-dimethyl-4-oxo-6-phenyl-8-pyrrolo[2,1-d][1,2,3,5]tetrazinecarbonitrile IUPAC Name: 3,7-dimethyl-4-oxo-6-phenylpyrrolo[2,1-d][1,2,3,5]tetrazine-8-carbonitrile Traditional Name: 4-keto-3,7-dimethyl-6-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(N2C(=C1C#N)N=NN(C2=O)C)C3=CC=CC=C3

Isomeric SMILES

CC1=C(N2C(=C1C#N)N=NN(C2=O)C)C3=CC=CC=C3

InChI

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