ethyl 4-[3-(4-tert-butylphenoxy)-4-chloranyl-2,5-bis(oxidanylidene)pyrrol-1-yl]benzoate

Systemtic Name: ethyl 4-[3-(4-tert-butylphenoxy)-4-chloranyl-2,5-bis(oxidanylidene)pyrrol-1-yl]benzoate Openeye Name: ethyl 4-[3-(4-tert-butylphenoxy)-4-chloro-2,5-dioxo-pyrrol-1-yl]benzoate CAS Name: 4-[3-(4-tert-butylphenoxy)-4-chloro-2,5-dioxo-1-pyrrolyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[3-(4-tert-butylphenoxy)-4-chloro-2,5-dioxopyrrol-1-yl]benzoate Traditional Name: 4-[3-(4-tert-butylphenoxy)-4-chloro-2,5-diketo-3-pyrrolin-1-yl]benzoic acid ethyl ester Formula: C23H22ClNO5 MolecularWeight: 427.87748

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N2C(=O)C(=C(C2=O)Cl)OC3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N2C(=O)C(=C(C2=O)Cl)OC3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C23H22ClNO5/c1-5-29-22(28)14-6-10-16(11-7-14)25-20(26)18(24)19(21(25)27)30-17-12-8-15(9-13-17)23(2,3)4/h6-13H,5H2,1-4H3