ethyl 3-(3-bromanyl-5-cyano-3-phenyl-2H-pyrrol-1-yl)-4-nitro-benzoate

Systemtic Name: ethyl 3-(3-bromanyl-5-cyano-3-phenyl-2H-pyrrol-1-yl)-4-nitro-benzoate Openeye Name: ethyl 3-(3-bromo-5-cyano-3-phenyl-2H-pyrrol-1-yl)-4-nitro-benzoate CAS Name: 3-(3-bromo-5-cyano-3-phenyl-2H-pyrrol-1-yl)-4-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-(3-bromo-5-cyano-3-phenyl-2H-pyrrol-1-yl)-4-nitrobenzoate Traditional Name: 3-(4-bromo-2-cyano-4-phenyl-2-pyrrolin-1-yl)-4-nitro-benzoic acid ethyl ester Formula: C20H16BrN3O4 MolecularWeight: 442.26274

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)[N+](=O)[O-])N2CC(C=C2C#N)(C3=CC=CC=C3)Br

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)[N+](=O)[O-])N2CC(C=C2C#N)(C3=CC=CC=C3)Br

InChI

InChI=1S/C20H16BrN3O4/c1-2-28-19(25)14-8-9-17(24(26)27)18(10-14)23-13-20(21,11-16(23)12-22)15-6-4-3-5-7-15/h3-11H,2,13H2,1H3