4-[3-[2-[3-(4-cyano-2-nitro-phenoxy)prop-1-ynyl]phenyl]prop-2-ynoxy]-3-nitro-benzenecarbonitrile

Systemtic Name: 4-[3-[2-[3-(4-cyano-2-nitro-phenoxy)prop-1-ynyl]phenyl]prop-2-ynoxy]-3-nitro-benzenecarbonitrile Openeye Name: 4-[3-[2-[3-(4-cyano-2-nitro-phenoxy)prop-1-ynyl]phenyl]prop-2-ynoxy]-3-nitro-benzonitrile CAS Name: 4-[3-[2-[3-(4-cyano-2-nitrophenoxy)prop-1-ynyl]phenyl]prop-2-ynoxy]-3-nitrobenzonitrile IUPAC Name: 4-[3-[2-[3-(4-cyano-2-nitrophenoxy)prop-1-ynyl]phenyl]prop-2-ynoxy]-3-nitrobenzonitrile Traditional Name: 4-[3-[2-[3-(4-cyano-2-nitro-phenoxy)prop-1-ynyl]phenyl]prop-2-ynoxy]-3-nitro-benzonitrile Formula: C26H14N4O6 MolecularWeight: 478.41256

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C#CCOC2=C(C=C(C=C2)C#N)[N+](=O)[O-])C#CCOC3=C(C=C(C=C3)C#N)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)C#CCOC2=C(C=C(C=C2)C#N)[N+](=O)[O-])C#CCOC3=C(C=C(C=C3)C#N)[N+](=O)[O-]

InChI

InChI=1S/C26H14N4O6/c27-17-19-9-11-25(23(15-19)29(31)32)35-13-3-7-21-5-1-2-6-22(21)8-4-14-36-26-12-10-20(18-28)16-24(26)30(33)34/h1-2,5-6,9-12,15-16H,13-14H2