4-[2-methyl-4-(4-methylphenyl)phenoxy]-3-nitro-benzenecarbonitrile

Systemtic Name: 4-[2-methyl-4-(4-methylphenyl)phenoxy]-3-nitro-benzenecarbonitrile Openeye Name: 4-[2-methyl-4-(p-tolyl)phenoxy]-3-nitro-benzonitrile CAS Name: 4-[2-methyl-4-(4-methylphenyl)phenoxy]-3-nitrobenzonitrile IUPAC Name: 4-[2-methyl-4-(4-methylphenyl)phenoxy]-3-nitrobenzonitrile Traditional Name: 4-[2-methyl-4-(p-tolyl)phenoxy]-3-nitro-benzonitrile Formula: C21H16N2O3 MolecularWeight: 344.36334

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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)[N+](=O)[O-])C

Isomeric SMILES

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

InChI

InChI=1S/C21H16N2O3/c1-14-3-6-17(7-4-14)18-8-10-20(15(2)11-18)26-21-9-5-16(13-22)12-19(21)23(24)25/h3-12H,1-2H3