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

Systemtic Name: ethyl (1E)-N-[5-bromanyl-3,4-dicyano-1-[(2-methylphenyl)methyl]pyrrol-2-yl]methanimidate Openeye Name: ethyl (1E)-N-[5-bromo-3,4-dicyano-1-(o-tolylmethyl)pyrrol-2-yl]methanimidate CAS Name: (1E)-N-[5-bromo-3,4-dicyano-1-[(2-methylphenyl)methyl]-2-pyrrolyl]methanimidic acid ethyl ester IUPAC Name: ethyl (1E)-N-[5-bromo-3,4-dicyano-1-[(2-methylphenyl)methyl]pyrrol-2-yl]methanimidate Traditional Name: (1E)-N-[5-bromo-3,4-dicyano-1-(2-methylbenzyl)pyrrol-2-yl]formimidic acid ethyl ester Formula: C17H15BrN4O MolecularWeight: 371.2312

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Descriptors Computed from Structure

Canonical SMILES:

CCOC=NC1=C(C(=C(N1CC2=CC=CC=C2C)Br)C#N)C#N

Isomeric SMILES

CCO/C=N/C1=C(C(=C(N1CC2=CC=CC=C2C)Br)C#N)C#N

InChI

InChI=1S/C17H15BrN4O/c1-3-23-11-21-17-15(9-20)14(8-19)16(18)22(17)10-13-7-5-4-6-12(13)2/h4-7,11H,3,10H2,1-2H3/b21-11+