3-[3-cyano-2-(4-methylphenyl)-4-nitro-phenoxy]-2-(4-methylphenyl)-6-nitro-benzenecarbonitrile

Systemtic Name: 3-[3-cyano-2-(4-methylphenyl)-4-nitro-phenoxy]-2-(4-methylphenyl)-6-nitro-benzenecarbonitrile Openeye Name: 3-[3-cyano-4-nitro-2-(p-tolyl)phenoxy]-6-nitro-2-(p-tolyl)benzonitrile CAS Name: 3-[3-cyano-2-(4-methylphenyl)-4-nitrophenoxy]-2-(4-methylphenyl)-6-nitrobenzonitrile IUPAC Name: 3-[3-cyano-2-(4-methylphenyl)-4-nitrophenoxy]-2-(4-methylphenyl)-6-nitrobenzonitrile Traditional Name: 3-[3-cyano-4-nitro-2-(p-tolyl)phenoxy]-6-nitro-2-(p-tolyl)benzonitrile Formula: C28H18N4O5 MolecularWeight: 490.46632

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(C=CC(=C2C#N)[N+](=O)[O-])OC3=C(C(=C(C=C3)[N+](=O)[O-])C#N)C4=CC=C(C=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(C=CC(=C2C#N)[N+](=O)[O-])OC3=C(C(=C(C=C3)[N+](=O)[O-])C#N)C4=CC=C(C=C4)C

InChI

InChI=1S/C28H18N4O5/c1-17-3-7-19(8-4-17)27-21(15-29)23(31(33)34)11-13-25(27)37-26-14-12-24(32(35)36)22(16-30)28(26)20-9-5-18(2)6-10-20/h3-14H,1-2H3