3-[[4-[3-[(3-chloranyl-2-methyl-phenyl)amino]-2-cyano-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenoxy]methyl]benzoate

Systemtic Name: 3-[[4-[3-[(3-chloranyl-2-methyl-phenyl)amino]-2-cyano-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenoxy]methyl]benzoate Openeye Name: 3-[[4-[3-(3-chloro-2-methyl-anilino)-2-cyano-3-oxo-prop-1-enyl]-2-methoxy-phenoxy]methyl]benzoate CAS Name: 3-[[4-[3-(3-chloro-2-methylanilino)-2-cyano-3-oxoprop-1-enyl]-2-methoxyphenoxy]methyl]benzoate IUPAC Name: 3-[[4-[3-(3-chloro-2-methylanilino)-2-cyano-3-oxoprop-1-enyl]-2-methoxyphenoxy]methyl]benzoate Traditional Name: 3-[[4-[3-(3-chloro-2-methyl-anilino)-2-cyano-3-keto-prop-1-enyl]-2-methoxy-phenoxy]methyl]benzoate Formula: C26H20ClN2O5- MolecularWeight: 475.9004

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=O)C(=CC2=CC(=C(C=C2)OCC3=CC=CC(=C3)C(=O)[O-])OC)C#N

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=O)C(=CC2=CC(=C(C=C2)OCC3=CC=CC(=C3)C(=O)[O-])OC)C#N

InChI

InChI=1S/C26H21ClN2O5/c1-16-21(27)7-4-8-22(16)29-25(30)20(14-28)11-17-9-10-23(24(13-17)33-2)34-15-18-5-3-6-19(12-18)26(31)32/h3-13H,15H2,1-2H3,(H,29,30)(H,31,32)/p-1