[3-[(2-cyanophenyl)amino]-3-oxidanylidene-propyl] 3-chloranyl-4,5-dimethoxy-benzoate

Systemtic Name: [3-[(2-cyanophenyl)amino]-3-oxidanylidene-propyl] 3-chloranyl-4,5-dimethoxy-benzoate Openeye Name: [3-(2-cyanoanilino)-3-oxo-propyl] 3-chloro-4,5-dimethoxy-benzoate CAS Name: 3-chloro-4,5-dimethoxybenzoic acid [3-(2-cyanoanilino)-3-oxopropyl] ester IUPAC Name: [3-(2-cyanoanilino)-3-oxopropyl] 3-chloro-4,5-dimethoxybenzoate Traditional Name: 3-chloro-4,5-dimethoxy-benzoic acid [3-(2-cyanoanilino)-3-keto-propyl] ester Formula: C19H17ClN2O5 MolecularWeight: 388.80168

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C(=O)OCCC(=O)NC2=CC=CC=C2C#N)Cl)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)C(=O)OCCC(=O)NC2=CC=CC=C2C#N)Cl)OC

InChI

InChI=1S/C19H17ClN2O5/c1-25-16-10-13(9-14(20)18(16)26-2)19(24)27-8-7-17(23)22-15-6-4-3-5-12(15)11-21/h3-6,9-10H,7-8H2,1-2H3,(H,22,23)