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

Systemtic Name: ethyl (1E)-N-[5-bromanyl-3,4-dicyano-1-(phenylmethyl)pyrrol-2-yl]methanimidate Openeye Name: ethyl (1E)-N-(1-benzyl-5-bromo-3,4-dicyano-pyrrol-2-yl)methanimidate CAS Name: (1E)-N-[5-bromo-3,4-dicyano-1-(phenylmethyl)-2-pyrrolyl]methanimidic acid ethyl ester IUPAC Name: ethyl (1E)-N-(1-benzyl-5-bromo-3,4-dicyanopyrrol-2-yl)methanimidate Traditional Name: (1E)-N-(1-benzyl-5-bromo-3,4-dicyano-pyrrol-2-yl)formimidic acid ethyl ester Formula: C16H13BrN4O MolecularWeight: 357.20462

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13BrN4O/c1-2-22-11-20-16-14(9-19)13(8-18)15(17)21(16)10-12-6-4-3-5-7-12/h3-7,11H,2,10H2,1H3/b20-11+