4-[[2-[(E)-2-cyano-3-(3-nitrophenyl)-3-oxidanylidene-prop-1-enyl]phenoxy]methyl]benzoic acid

Systemtic Name: 4-[[2-[(E)-2-cyano-3-(3-nitrophenyl)-3-oxidanylidene-prop-1-enyl]phenoxy]methyl]benzoic acid Openeye Name: 4-[[2-[(E)-2-cyano-3-(3-nitrophenyl)-3-oxo-prop-1-enyl]phenoxy]methyl]benzoic acid CAS Name: 4-[[2-[(E)-2-cyano-3-(3-nitrophenyl)-3-oxoprop-1-enyl]phenoxy]methyl]benzoic acid IUPAC Name: 4-[[2-[(E)-2-cyano-3-(3-nitrophenyl)-3-oxoprop-1-enyl]phenoxy]methyl]benzoic acid Traditional Name: 4-[[2-[(E)-2-cyano-3-keto-3-(3-nitrophenyl)prop-1-enyl]phenoxy]methyl]benzoic acid Formula: C24H16N2O6 MolecularWeight: 428.39364

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H16N2O6/c25-14-20(23(27)19-5-3-6-21(13-19)26(30)31)12-18-4-1-2-7-22(18)32-15-16-8-10-17(11-9-16)24(28)29/h1-13H,15H2,(H,28,29)/b20-12+