[2-[(5-chloranyl-2-cyano-phenyl)amino]-2-oxidanylidene-ethyl] 1-ethyl-2,5-dimethyl-pyrrole-3-carboxylate

Systemtic Name: [2-[(5-chloranyl-2-cyano-phenyl)amino]-2-oxidanylidene-ethyl] 1-ethyl-2,5-dimethyl-pyrrole-3-carboxylate Openeye Name: [2-(5-chloro-2-cyano-anilino)-2-oxo-ethyl] 1-ethyl-2,5-dimethyl-pyrrole-3-carboxylate CAS Name: 1-ethyl-2,5-dimethyl-3-pyrrolecarboxylic acid [2-(5-chloro-2-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(5-chloro-2-cyanoanilino)-2-oxoethyl] 1-ethyl-2,5-dimethylpyrrole-3-carboxylate Traditional Name: 1-ethyl-2,5-dimethyl-pyrrole-3-carboxylic acid [2-(5-chloro-2-cyano-anilino)-2-keto-ethyl] ester Formula: C18H18ClN3O3 MolecularWeight: 359.80682

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC(=C1C)C(=O)OCC(=O)NC2=C(C=CC(=C2)Cl)C#N)C

Isomeric SMILES

CCN1C(=CC(=C1C)C(=O)OCC(=O)NC2=C(C=CC(=C2)Cl)C#N)C

InChI

InChI=1S/C18H18ClN3O3/c1-4-22-11(2)7-15(12(22)3)18(24)25-10-17(23)21-16-8-14(19)6-5-13(16)9-20/h5-8H,4,10H2,1-3H3,(H,21,23)