4-[4-(4-methylphenyl)phenoxy]-5-nitro-benzene-1,2-dicarbonitrile

Systemtic Name: 4-[4-(4-methylphenyl)phenoxy]-5-nitro-benzene-1,2-dicarbonitrile Openeye Name: 4-nitro-5-[4-(p-tolyl)phenoxy]phthalonitrile CAS Name: 4-[4-(4-methylphenyl)phenoxy]-5-nitrobenzene-1,2-dicarbonitrile IUPAC Name: 4-[4-(4-methylphenyl)phenoxy]-5-nitrobenzene-1,2-dicarbonitrile Traditional Name: 4-nitro-5-[4-(p-tolyl)phenoxy]phthalonitrile Formula: C21H13N3O3 MolecularWeight: 355.34622

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC=C(C=C2)OC3=C(C=C(C(=C3)C#N)C#N)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC=C(C=C2)OC3=C(C=C(C(=C3)C#N)C#N)[N+](=O)[O-]

InChI

InChI=1S/C21H13N3O3/c1-14-2-4-15(5-3-14)16-6-8-19(9-7-16)27-21-11-18(13-23)17(12-22)10-20(21)24(25)26/h2-11H,1H3