3-[[2-chloranyl-4-[(Z)-2-cyano-3-ethoxy-3-oxidanylidene-prop-1-enyl]-6-methoxy-phenoxy]methyl]benzoic acid

Systemtic Name: 3-[[2-chloranyl-4-[(Z)-2-cyano-3-ethoxy-3-oxidanylidene-prop-1-enyl]-6-methoxy-phenoxy]methyl]benzoic acid Openeye Name: 3-[[2-chloro-4-[(Z)-2-cyano-3-ethoxy-3-oxo-prop-1-enyl]-6-methoxy-phenoxy]methyl]benzoic acid CAS Name: 3-[[2-chloro-4-[(Z)-2-cyano-3-ethoxy-3-oxoprop-1-enyl]-6-methoxyphenoxy]methyl]benzoic acid IUPAC Name: 3-[[2-chloro-4-[(Z)-2-cyano-3-ethoxy-3-oxoprop-1-enyl]-6-methoxyphenoxy]methyl]benzoic acid Traditional Name: 3-[[2-chloro-4-[(Z)-2-cyano-3-ethoxy-3-keto-prop-1-enyl]-6-methoxy-phenoxy]methyl]benzoic acid Formula: C21H18ClNO6 MolecularWeight: 415.82372

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CC1=CC(=C(C(=C1)Cl)OCC2=CC=CC(=C2)C(=O)O)OC)C#N

Isomeric SMILES

CCOC(=O)/C(=C\C1=CC(=C(C(=C1)Cl)OCC2=CC=CC(=C2)C(=O)O)OC)/C#N

InChI

InChI=1S/C21H18ClNO6/c1-3-28-21(26)16(11-23)8-14-9-17(22)19(18(10-14)27-2)29-12-13-5-4-6-15(7-13)20(24)25/h4-10H,3,12H2,1-2H3,(H,24,25)/b16-8-