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

Systemtic Name: ethyl (1E)-N-[5-bromanyl-3,4-dicyano-1-(phenylmethoxymethyl)pyrrol-2-yl]methanimidate Openeye Name: ethyl (1E)-N-[1-(benzyloxymethyl)-5-bromo-3,4-dicyano-pyrrol-2-yl]methanimidate CAS Name: (1E)-N-[5-bromo-3,4-dicyano-1-(phenylmethoxymethyl)-2-pyrrolyl]methanimidic acid ethyl ester IUPAC Name: ethyl (1E)-N-[5-bromo-3,4-dicyano-1-(phenylmethoxymethyl)pyrrol-2-yl]methanimidate Traditional Name: (1E)-N-[1-(benzoxymethyl)-5-bromo-3,4-dicyano-pyrrol-2-yl]formimidic acid ethyl ester Formula: C17H15BrN4O2 MolecularWeight: 387.2306

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Descriptors Computed from Structure

Canonical SMILES:

CCOC=NC1=C(C(=C(N1COCC2=CC=CC=C2)Br)C#N)C#N

Isomeric SMILES

CCO/C=N/C1=C(C(=C(N1COCC2=CC=CC=C2)Br)C#N)C#N

InChI

InChI=1S/C17H15BrN4O2/c1-2-23-11-21-17-15(9-20)14(8-19)16(18)22(17)12-24-10-13-6-4-3-5-7-13/h3-7,11H,2,10,12H2,1H3/b21-11+