[2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl] 3-chloranyl-5-ethoxy-4-propoxy-benzoate

Systemtic Name: [2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl] 3-chloranyl-5-ethoxy-4-propoxy-benzoate Openeye Name: [2-(3-cyanoanilino)-2-oxo-ethyl] 3-chloro-5-ethoxy-4-propoxy-benzoate CAS Name: 3-chloro-5-ethoxy-4-propoxybenzoic acid [2-(3-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-cyanoanilino)-2-oxoethyl] 3-chloro-5-ethoxy-4-propoxybenzoate Traditional Name: 3-chloro-5-ethoxy-4-propoxy-benzoic acid [2-(3-cyanoanilino)-2-keto-ethyl] ester Formula: C21H21ClN2O5 MolecularWeight: 416.85484

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1Cl)C(=O)OCC(=O)NC2=CC=CC(=C2)C#N)OCC

Isomeric SMILES

CCCOC1=C(C=C(C=C1Cl)C(=O)OCC(=O)NC2=CC=CC(=C2)C#N)OCC

InChI

InChI=1S/C21H21ClN2O5/c1-3-8-28-20-17(22)10-15(11-18(20)27-4-2)21(26)29-13-19(25)24-16-7-5-6-14(9-16)12-23/h5-7,9-11H,3-4,8,13H2,1-2H3,(H,24,25)