3-(4-methoxyphenyl)-7-methyl-4-oxidanylidene-6-phenyl-pyrrolo[2,1-d][1,2,3,5]tetrazine-8-carbonitrile

Systemtic Name: 3-(4-methoxyphenyl)-7-methyl-4-oxidanylidene-6-phenyl-pyrrolo[2,1-d][1,2,3,5]tetrazine-8-carbonitrile Openeye Name: 3-(4-methoxyphenyl)-7-methyl-4-oxo-6-phenyl-pyrrolo[2,1-d][1,2,3,5]tetrazine-8-carbonitrile CAS Name: 3-(4-methoxyphenyl)-7-methyl-4-oxo-6-phenyl-8-pyrrolo[2,1-d][1,2,3,5]tetrazinecarbonitrile IUPAC Name: 3-(4-methoxyphenyl)-7-methyl-4-oxo-6-phenylpyrrolo[2,1-d][1,2,3,5]tetrazine-8-carbonitrile Traditional Name: 4-keto-3-(4-methoxyphenyl)-7-methyl-6-phenyl-pyrrolo[2,1-d][1,2,3,5]tetrazine-8-carbonitrile Formula: C20H15N5O2 MolecularWeight: 357.3654

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H15N5O2/c1-13-17(12-21)19-22-23-25(15-8-10-16(27-2)11-9-15)20(26)24(19)18(13)14-6-4-3-5-7-14/h3-11H,1-2H3