[2-[(4-cyanophenyl)amino]-2-oxidanylidene-ethyl] 3,5-bis(chloranyl)-4-methoxy-benzoate

Systemtic Name: [2-[(4-cyanophenyl)amino]-2-oxidanylidene-ethyl] 3,5-bis(chloranyl)-4-methoxy-benzoate Openeye Name: [2-(4-cyanoanilino)-2-oxo-ethyl] 3,5-dichloro-4-methoxy-benzoate CAS Name: 3,5-dichloro-4-methoxybenzoic acid [2-(4-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-cyanoanilino)-2-oxoethyl] 3,5-dichloro-4-methoxybenzoate Traditional Name: 3,5-dichloro-4-methoxy-benzoic acid [2-(4-cyanoanilino)-2-keto-ethyl] ester Formula: C17H12Cl2N2O4 MolecularWeight: 379.19418

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1Cl)C(=O)OCC(=O)NC2=CC=C(C=C2)C#N)Cl

Isomeric SMILES

COC1=C(C=C(C=C1Cl)C(=O)OCC(=O)NC2=CC=C(C=C2)C#N)Cl

InChI

InChI=1S/C17H12Cl2N2O4/c1-24-16-13(18)6-11(7-14(16)19)17(23)25-9-15(22)21-12-4-2-10(8-20)3-5-12/h2-7H,9H2,1H3,(H,21,22)