[2-[(5-chloranyl-2-cyano-phenyl)amino]-2-oxidanylidene-ethyl] 3-(ethoxymethyl)-4-methoxy-benzoate

Systemtic Name: [2-[(5-chloranyl-2-cyano-phenyl)amino]-2-oxidanylidene-ethyl] 3-(ethoxymethyl)-4-methoxy-benzoate Openeye Name: [2-(5-chloro-2-cyano-anilino)-2-oxo-ethyl] 3-(ethoxymethyl)-4-methoxy-benzoate CAS Name: 3-(ethoxymethyl)-4-methoxybenzoic acid [2-(5-chloro-2-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(5-chloro-2-cyanoanilino)-2-oxoethyl] 3-(ethoxymethyl)-4-methoxybenzoate Traditional Name: 3-(ethoxymethyl)-4-methoxy-benzoic acid [2-(5-chloro-2-cyano-anilino)-2-keto-ethyl] ester Formula: C20H19ClN2O5 MolecularWeight: 402.82826

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Descriptors Computed from Structure

Canonical SMILES:

CCOCC1=C(C=CC(=C1)C(=O)OCC(=O)NC2=C(C=CC(=C2)Cl)C#N)OC

Isomeric SMILES

CCOCC1=C(C=CC(=C1)C(=O)OCC(=O)NC2=C(C=CC(=C2)Cl)C#N)OC

InChI

InChI=1S/C20H19ClN2O5/c1-3-27-11-15-8-13(5-7-18(15)26-2)20(25)28-12-19(24)23-17-9-16(21)6-4-14(17)10-22/h4-9H,3,11-12H2,1-2H3,(H,23,24)