4-[(E)-3-[4-(4-tert-butylphenoxy)-3-nitro-phenyl]prop-2-enoyl]benzenecarbonitrile

Systemtic Name: 4-[(E)-3-[4-(4-tert-butylphenoxy)-3-nitro-phenyl]prop-2-enoyl]benzenecarbonitrile Openeye Name: 4-[(E)-3-[4-(4-tert-butylphenoxy)-3-nitro-phenyl]prop-2-enoyl]benzonitrile CAS Name: 4-[(E)-3-[4-(4-tert-butylphenoxy)-3-nitrophenyl]-1-oxoprop-2-enyl]benzonitrile IUPAC Name: 4-[(E)-3-[4-(4-tert-butylphenoxy)-3-nitrophenyl]prop-2-enoyl]benzonitrile Traditional Name: 4-[(E)-3-[4-(4-tert-butylphenoxy)-3-nitro-phenyl]acryloyl]benzonitrile Formula: C26H22N2O4 MolecularWeight: 426.46388

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H22N2O4/c1-26(2,3)21-10-12-22(13-11-21)32-25-15-7-18(16-23(25)28(30)31)6-14-24(29)20-8-4-19(17-27)5-9-20/h4-16H,1-3H3/b14-6+