4-[[4-[2-cyano-2-(3-nitrophenyl)ethenyl]-2-ethoxy-6-prop-2-enyl-phenoxy]methyl]benzoic acid

Systemtic Name: 4-[[4-[2-cyano-2-(3-nitrophenyl)ethenyl]-2-ethoxy-6-prop-2-enyl-phenoxy]methyl]benzoic acid Openeye Name: 4-[[2-allyl-4-[2-cyano-2-(3-nitrophenyl)vinyl]-6-ethoxy-phenoxy]methyl]benzoic acid CAS Name: 4-[[4-[2-cyano-2-(3-nitrophenyl)ethenyl]-2-ethoxy-6-prop-2-enylphenoxy]methyl]benzoic acid IUPAC Name: 4-[[4-[2-cyano-2-(3-nitrophenyl)ethenyl]-2-ethoxy-6-prop-2-enylphenoxy]methyl]benzoic acid Traditional Name: 4-[[2-allyl-4-[2-cyano-2-(3-nitrophenyl)vinyl]-6-ethoxy-phenoxy]methyl]benzoic acid Formula: C28H24N2O6 MolecularWeight: 484.49996

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC2=CC=C(C=C2)C(=O)O)CC=C)C=C(C#N)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC2=CC=C(C=C2)C(=O)O)CC=C)C=C(C#N)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C28H24N2O6/c1-3-6-23-13-20(14-24(17-29)22-7-5-8-25(16-22)30(33)34)15-26(35-4-2)27(23)36-18-19-9-11-21(12-10-19)28(31)32/h3,5,7-16H,1,4,6,18H2,2H3,(H,31,32)