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

Systemtic Name: ethyl 3-(3-bromanyl-5-cyano-3-phenyl-2H-pyrrol-1-yl)-4-nitro-benzoate; N-methylpentanamide Openeye Name: ethyl 3-(3-bromo-5-cyano-3-phenyl-2H-pyrrol-1-yl)-4-nitro-benzoate; N-methylpentanamide CAS Name: 3-(3-bromo-5-cyano-3-phenyl-2H-pyrrol-1-yl)-4-nitrobenzoic acid ethyl ester; N-methylpentanamide IUPAC Name: ethyl 3-(3-bromo-5-cyano-3-phenyl-2H-pyrrol-1-yl)-4-nitrobenzoate; N-methylpentanamide Traditional Name: 3-(4-bromo-2-cyano-4-phenyl-2-pyrrolin-1-yl)-4-nitro-benzoic acid ethyl ester; N-methylvaleramide Formula: C26H29BrN4O5 MolecularWeight: 557.43626

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H16BrN3O4.C6H13NO/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;1-3-4-5-6(8)7-2/h3-11H,2,13H2,1H3;3-5H2,1-2H3,(H,7,8)