4-[1-cyano-2-[3-ethoxy-4-[(4-nitrophenyl)methoxy]-5-prop-2-enyl-phenyl]ethenyl]benzoic acid

Systemtic Name: 4-[1-cyano-2-[3-ethoxy-4-[(4-nitrophenyl)methoxy]-5-prop-2-enyl-phenyl]ethenyl]benzoic acid Openeye Name: 4-[2-[3-allyl-5-ethoxy-4-[(4-nitrophenyl)methoxy]phenyl]-1-cyano-vinyl]benzoic acid CAS Name: 4-[1-cyano-2-[3-ethoxy-4-[(4-nitrophenyl)methoxy]-5-prop-2-enylphenyl]ethenyl]benzoic acid IUPAC Name: 4-[1-cyano-2-[3-ethoxy-4-[(4-nitrophenyl)methoxy]-5-prop-2-enylphenyl]ethenyl]benzoic acid Traditional Name: 4-[2-[3-allyl-5-ethoxy-4-(4-nitrobenzyl)oxy-phenyl]-1-cyano-vinyl]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)[N+](=O)[O-])CC=C)C=C(C#N)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

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

InChI

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