2-[5-bromanyl-2-(2,2-dicyanoethenyl)-4-methyl-1H-pyrrol-3-yl]ethyl benzoate

Systemtic Name: 2-[5-bromanyl-2-(2,2-dicyanoethenyl)-4-methyl-1H-pyrrol-3-yl]ethyl benzoate Openeye Name: 2-[5-bromo-2-(2,2-dicyanovinyl)-4-methyl-1H-pyrrol-3-yl]ethyl benzoate CAS Name: benzoic acid 2-[5-bromo-2-(2,2-dicyanoethenyl)-4-methyl-1H-pyrrol-3-yl]ethyl ester IUPAC Name: 2-[5-bromo-2-(2,2-dicyanoethenyl)-4-methyl-1H-pyrrol-3-yl]ethyl benzoate Traditional Name: benzoic acid 2-[5-bromo-2-(2,2-dicyanovinyl)-4-methyl-1H-pyrrol-3-yl]ethyl ester Formula: C18H14BrN3O2 MolecularWeight: 384.22666

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1CCOC(=O)C2=CC=CC=C2)C=C(C#N)C#N)Br

Isomeric SMILES

CC1=C(NC(=C1CCOC(=O)C2=CC=CC=C2)C=C(C#N)C#N)Br

InChI

InChI=1S/C18H14BrN3O2/c1-12-15(16(22-17(12)19)9-13(10-20)11-21)7-8-24-18(23)14-5-3-2-4-6-14/h2-6,9,22H,7-8H2,1H3