4-[[2-chloranyl-4-[(Z)-2-cyano-3-oxidanylidene-3-phenylazanyl-prop-1-enyl]-6-methoxy-phenoxy]methyl]benzoate

Systemtic Name: 4-[[2-chloranyl-4-[(Z)-2-cyano-3-oxidanylidene-3-phenylazanyl-prop-1-enyl]-6-methoxy-phenoxy]methyl]benzoate Openeye Name: 4-[[4-[(Z)-3-anilino-2-cyano-3-oxo-prop-1-enyl]-2-chloro-6-methoxy-phenoxy]methyl]benzoate CAS Name: 4-[[4-[(Z)-3-anilino-2-cyano-3-oxoprop-1-enyl]-2-chloro-6-methoxyphenoxy]methyl]benzoate IUPAC Name: 4-[[4-[(Z)-3-anilino-2-cyano-3-oxoprop-1-enyl]-2-chloro-6-methoxyphenoxy]methyl]benzoate Traditional Name: 4-[[4-[(Z)-3-anilino-2-cyano-3-keto-prop-1-enyl]-2-chloro-6-methoxy-phenoxy]methyl]benzoate Formula: C25H18ClN2O5- MolecularWeight: 461.87382

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=C(C#N)C(=O)NC2=CC=CC=C2)Cl)OCC3=CC=C(C=C3)C(=O)[O-]

Isomeric SMILES

COC1=C(C(=CC(=C1)/C=C(/C#N)\C(=O)NC2=CC=CC=C2)Cl)OCC3=CC=C(C=C3)C(=O)[O-]

InChI

InChI=1S/C25H19ClN2O5/c1-32-22-13-17(11-19(14-27)24(29)28-20-5-3-2-4-6-20)12-21(26)23(22)33-15-16-7-9-18(10-8-16)25(30)31/h2-13H,15H2,1H3,(H,28,29)(H,30,31)/p-1/b19-11-