methyl 4-[[4-[(E)-2-cyano-3-oxidanylidene-3-phenylazanyl-prop-1-enyl]phenoxy]methyl]benzoate

Systemtic Name: methyl 4-[[4-[(E)-2-cyano-3-oxidanylidene-3-phenylazanyl-prop-1-enyl]phenoxy]methyl]benzoate Openeye Name: methyl 4-[[4-[(E)-3-anilino-2-cyano-3-oxo-prop-1-enyl]phenoxy]methyl]benzoate CAS Name: 4-[[4-[(E)-3-anilino-2-cyano-3-oxoprop-1-enyl]phenoxy]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-[(E)-3-anilino-2-cyano-3-oxoprop-1-enyl]phenoxy]methyl]benzoate Traditional Name: 4-[[4-[(E)-3-anilino-2-cyano-3-keto-prop-1-enyl]phenoxy]methyl]benzoic acid methyl ester Formula: C25H20N2O4 MolecularWeight: 412.4373

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)COC2=CC=C(C=C2)C=C(C#N)C(=O)NC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)COC2=CC=C(C=C2)/C=C(\C#N)/C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C25H20N2O4/c1-30-25(29)20-11-7-19(8-12-20)17-31-23-13-9-18(10-14-23)15-21(16-26)24(28)27-22-5-3-2-4-6-22/h2-15H,17H2,1H3,(H,27,28)/b21-15+