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

Systemtic Name: 6-methyl-4-oxidanylidene-3,7-diphenyl-pyrrolo[2,1-d][1,2,3,5]tetrazine-8-carbonitrile Openeye Name: 6-methyl-4-oxo-3,7-diphenyl-pyrrolo[2,1-d][1,2,3,5]tetrazine-8-carbonitrile CAS Name: 6-methyl-4-oxo-3,7-diphenyl-8-pyrrolo[2,1-d][1,2,3,5]tetrazinecarbonitrile IUPAC Name: 6-methyl-4-oxo-3,7-diphenylpyrrolo[2,1-d][1,2,3,5]tetrazine-8-carbonitrile Traditional Name: 4-keto-6-methyl-3,7-diphenyl-pyrrolo[2,1-d][1,2,3,5]tetrazine-8-carbonitrile Formula: C19H13N5O MolecularWeight: 327.33942

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C2N1C(=O)N(N=N2)C3=CC=CC=C3)C#N)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=C2N1C(=O)N(N=N2)C3=CC=CC=C3)C#N)C4=CC=CC=C4

InChI

InChI=1S/C19H13N5O/c1-13-17(14-8-4-2-5-9-14)16(12-20)18-21-22-24(19(25)23(13)18)15-10-6-3-7-11-15/h2-11H,1H3