ethyl 4-[3-[(4-chlorophenyl)amino]-2-cyano-3-oxidanylidene-prop-1-enyl]-2,5-dimethyl-1-phenyl-pyrrole-3-carboxylate

Systemtic Name: ethyl 4-[3-[(4-chlorophenyl)amino]-2-cyano-3-oxidanylidene-prop-1-enyl]-2,5-dimethyl-1-phenyl-pyrrole-3-carboxylate Openeye Name: ethyl 4-[3-(4-chloroanilino)-2-cyano-3-oxo-prop-1-enyl]-2,5-dimethyl-1-phenyl-pyrrole-3-carboxylate CAS Name: 4-[3-(4-chloroanilino)-2-cyano-3-oxoprop-1-enyl]-2,5-dimethyl-1-phenyl-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-(4-chloroanilino)-2-cyano-3-oxoprop-1-enyl]-2,5-dimethyl-1-phenylpyrrole-3-carboxylate Traditional Name: 4-[3-(4-chloroanilino)-2-cyano-3-keto-prop-1-enyl]-2,5-dimethyl-1-phenyl-pyrrole-3-carboxylic acid ethyl ester Formula: C25H22ClN3O3 MolecularWeight: 447.91348

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=C1C=C(C#N)C(=O)NC2=CC=C(C=C2)Cl)C)C3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=C1C=C(C#N)C(=O)NC2=CC=C(C=C2)Cl)C)C3=CC=CC=C3)C

InChI

InChI=1S/C25H22ClN3O3/c1-4-32-25(31)23-17(3)29(21-8-6-5-7-9-21)16(2)22(23)14-18(15-27)24(30)28-20-12-10-19(26)11-13-20/h5-14H,4H2,1-3H3,(H,28,30)