4-[2-(benzotriazol-2-yl)-4-methyl-phenoxy]-5-nitro-benzene-1,2-dicarbonitrile

Systemtic Name: 4-[2-(benzotriazol-2-yl)-4-methyl-phenoxy]-5-nitro-benzene-1,2-dicarbonitrile Openeye Name: 4-[2-(benzotriazol-2-yl)-4-methyl-phenoxy]-5-nitro-phthalonitrile CAS Name: 4-[2-(2-benzotriazolyl)-4-methylphenoxy]-5-nitrobenzene-1,2-dicarbonitrile IUPAC Name: 4-[2-(benzotriazol-2-yl)-4-methylphenoxy]-5-nitrobenzene-1,2-dicarbonitrile Traditional Name: 4-[2-(benzotriazol-2-yl)-4-methyl-phenoxy]-5-nitro-phthalonitrile Formula: C21H12N6O3 MolecularWeight: 396.35838

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC2=C(C=C(C(=C2)C#N)C#N)[N+](=O)[O-])N3N=C4C=CC=CC4=N3

Isomeric SMILES

CC1=CC(=C(C=C1)OC2=C(C=C(C(=C2)C#N)C#N)[N+](=O)[O-])N3N=C4C=CC=CC4=N3

InChI

InChI=1S/C21H12N6O3/c1-13-6-7-20(18(8-13)26-24-16-4-2-3-5-17(16)25-26)30-21-10-15(12-23)14(11-22)9-19(21)27(28)29/h2-10H,1H3