4-[4-[2-[4-(4-cyano-2-nitro-phenoxy)phenyl]propan-2-yl]phenoxy]-3-nitro-benzenecarbonitrile

Systemtic Name: 4-[4-[2-[4-(4-cyano-2-nitro-phenoxy)phenyl]propan-2-yl]phenoxy]-3-nitro-benzenecarbonitrile Openeye Name: 4-[4-[1-[4-(4-cyano-2-nitro-phenoxy)phenyl]-1-methyl-ethyl]phenoxy]-3-nitro-benzonitrile CAS Name: 4-[4-[2-[4-(4-cyano-2-nitrophenoxy)phenyl]propan-2-yl]phenoxy]-3-nitrobenzonitrile IUPAC Name: 4-[4-[2-[4-(4-cyano-2-nitrophenoxy)phenyl]propan-2-yl]phenoxy]-3-nitrobenzonitrile Traditional Name: 4-[4-[1-[4-(4-cyano-2-nitro-phenoxy)phenyl]-1-methyl-ethyl]phenoxy]-3-nitro-benzonitrile Formula: C29H20N4O6 MolecularWeight: 520.4923

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CC=C(C=C1)OC2=C(C=C(C=C2)C#N)[N+](=O)[O-])C3=CC=C(C=C3)OC4=C(C=C(C=C4)C#N)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C1=CC=C(C=C1)OC2=C(C=C(C=C2)C#N)[N+](=O)[O-])C3=CC=C(C=C3)OC4=C(C=C(C=C4)C#N)[N+](=O)[O-]

InChI

InChI=1S/C29H20N4O6/c1-29(2,21-5-9-23(10-6-21)38-27-13-3-19(17-30)15-25(27)32(34)35)22-7-11-24(12-8-22)39-28-14-4-20(18-31)16-26(28)33(36)37/h3-16H,1-2H3