ethyl (1E)-N-[5-bromanyl-1-[(4-tert-butylphenyl)methyl]-3,4-dicyano-pyrrol-2-yl]methanimidate

Systemtic Name: ethyl (1E)-N-[5-bromanyl-1-[(4-tert-butylphenyl)methyl]-3,4-dicyano-pyrrol-2-yl]methanimidate Openeye Name: ethyl (1E)-N-[5-bromo-1-[(4-tert-butylphenyl)methyl]-3,4-dicyano-pyrrol-2-yl]methanimidate CAS Name: (1E)-N-[5-bromo-1-[(4-tert-butylphenyl)methyl]-3,4-dicyano-2-pyrrolyl]methanimidic acid ethyl ester IUPAC Name: ethyl (1E)-N-[5-bromo-1-[(4-tert-butylphenyl)methyl]-3,4-dicyanopyrrol-2-yl]methanimidate Traditional Name: (1E)-N-[5-bromo-1-(4-tert-butylbenzyl)-3,4-dicyano-pyrrol-2-yl]formimidic acid ethyl ester Formula: C20H21BrN4O MolecularWeight: 413.31094

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Descriptors Computed from Structure

Canonical SMILES:

CCOC=NC1=C(C(=C(N1CC2=CC=C(C=C2)C(C)(C)C)Br)C#N)C#N

Isomeric SMILES

CCO/C=N/C1=C(C(=C(N1CC2=CC=C(C=C2)C(C)(C)C)Br)C#N)C#N

InChI

InChI=1S/C20H21BrN4O/c1-5-26-13-24-19-17(11-23)16(10-22)18(21)25(19)12-14-6-8-15(9-7-14)20(2,3)4/h6-9,13H,5,12H2,1-4H3/b24-13+