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

Systemtic Name: 7-methyl-4-oxidanylidene-3,6-diphenyl-pyrrolo[2,1-d][1,2,3,5]tetrazine-8-carbonitrile Openeye Name: 7-methyl-4-oxo-3,6-diphenyl-pyrrolo[2,1-d][1,2,3,5]tetrazine-8-carbonitrile CAS Name: 7-methyl-4-oxo-3,6-diphenyl-8-pyrrolo[2,1-d][1,2,3,5]tetrazinecarbonitrile IUPAC Name: 7-methyl-4-oxo-3,6-diphenylpyrrolo[2,1-d][1,2,3,5]tetrazine-8-carbonitrile Traditional Name: 4-keto-7-methyl-3,6-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(N2C(=C1C#N)N=NN(C2=O)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=C(N2C(=C1C#N)N=NN(C2=O)C3=CC=CC=C3)C4=CC=CC=C4

InChI

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