[2-chloranyl-4-[(E)-2-cyano-3-oxidanylidene-3-phenylazanyl-prop-1-enyl]-6-ethoxy-phenyl] 4-methoxybenzoate

Systemtic Name: [2-chloranyl-4-[(E)-2-cyano-3-oxidanylidene-3-phenylazanyl-prop-1-enyl]-6-ethoxy-phenyl] 4-methoxybenzoate Openeye Name: [4-[(E)-3-anilino-2-cyano-3-oxo-prop-1-enyl]-2-chloro-6-ethoxy-phenyl] 4-methoxybenzoate CAS Name: 4-methoxybenzoic acid [4-[(E)-3-anilino-2-cyano-3-oxoprop-1-enyl]-2-chloro-6-ethoxyphenyl] ester IUPAC Name: [4-[(E)-3-anilino-2-cyano-3-oxoprop-1-enyl]-2-chloro-6-ethoxyphenyl] 4-methoxybenzoate Traditional Name: 4-methoxybenzoic acid [4-[(E)-3-anilino-2-cyano-3-keto-prop-1-enyl]-2-chloro-6-ethoxy-phenyl] ester Formula: C26H21ClN2O5 MolecularWeight: 476.90834

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=C(C#N)C(=O)NC2=CC=CC=C2)Cl)OC(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CCOC1=C(C(=CC(=C1)/C=C(\C#N)/C(=O)NC2=CC=CC=C2)Cl)OC(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C26H21ClN2O5/c1-3-33-23-15-17(13-19(16-28)25(30)29-20-7-5-4-6-8-20)14-22(27)24(23)34-26(31)18-9-11-21(32-2)12-10-18/h4-15H,3H2,1-2H3,(H,29,30)/b19-13+