4-[3-(4-cyano-2-nitro-phenoxy)-5-methyl-phenoxy]-3-nitro-benzenecarbonitrile

Systemtic Name: 4-[3-(4-cyano-2-nitro-phenoxy)-5-methyl-phenoxy]-3-nitro-benzenecarbonitrile Openeye Name: 4-[3-(4-cyano-2-nitro-phenoxy)-5-methyl-phenoxy]-3-nitro-benzonitrile CAS Name: 4-[3-(4-cyano-2-nitrophenoxy)-5-methylphenoxy]-3-nitrobenzonitrile IUPAC Name: 4-[3-(4-cyano-2-nitrophenoxy)-5-methylphenoxy]-3-nitrobenzonitrile Traditional Name: 4-[3-(4-cyano-2-nitro-phenoxy)-5-methyl-phenoxy]-3-nitro-benzonitrile Formula: C21H12N4O6 MolecularWeight: 416.34318

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OC2=C(C=C(C=C2)C#N)[N+](=O)[O-])OC3=C(C=C(C=C3)C#N)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC(=C1)OC2=C(C=C(C=C2)C#N)[N+](=O)[O-])OC3=C(C=C(C=C3)C#N)[N+](=O)[O-]

InChI

InChI=1S/C21H12N4O6/c1-13-6-16(30-20-4-2-14(11-22)8-18(20)24(26)27)10-17(7-13)31-21-5-3-15(12-23)9-19(21)25(28)29/h2-10H,1H3