3-[4-[(4-tert-butylphenyl)methoxy]-3-ethoxy-phenyl]-2-(4-nitrophenyl)prop-2-enenitrile

Systemtic Name: 3-[4-[(4-tert-butylphenyl)methoxy]-3-ethoxy-phenyl]-2-(4-nitrophenyl)prop-2-enenitrile Openeye Name: 3-[4-[(4-tert-butylphenyl)methoxy]-3-ethoxy-phenyl]-2-(4-nitrophenyl)prop-2-enenitrile CAS Name: 3-[4-[(4-tert-butylphenyl)methoxy]-3-ethoxyphenyl]-2-(4-nitrophenyl)-2-propenenitrile IUPAC Name: 3-[4-[(4-tert-butylphenyl)methoxy]-3-ethoxyphenyl]-2-(4-nitrophenyl)prop-2-enenitrile Traditional Name: 3-[4-(4-tert-butylbenzyl)oxy-3-ethoxy-phenyl]-2-(4-nitrophenyl)acrylonitrile Formula: C28H28N2O4 MolecularWeight: 456.53292

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=C(C#N)C2=CC=C(C=C2)[N+](=O)[O-])OCC3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CCOC1=C(C=CC(=C1)C=C(C#N)C2=CC=C(C=C2)[N+](=O)[O-])OCC3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C28H28N2O4/c1-5-33-27-17-21(16-23(18-29)22-9-13-25(14-10-22)30(31)32)8-15-26(27)34-19-20-6-11-24(12-7-20)28(2,3)4/h6-17H,5,19H2,1-4H3