4-[3-(4-bromophenyl)-6-oxidanylidene-pyridazin-1-yl]-N-(3-nitrophenyl)butanamide

Systemtic Name: 4-[3-(4-bromophenyl)-6-oxidanylidene-pyridazin-1-yl]-N-(3-nitrophenyl)butanamide Openeye Name: 4-[3-(4-bromophenyl)-6-oxo-pyridazin-1-yl]-N-(3-nitrophenyl)butanamide CAS Name: 4-[3-(4-bromophenyl)-6-oxo-1-pyridazinyl]-N-(3-nitrophenyl)butanamide IUPAC Name: 4-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]-N-(3-nitrophenyl)butanamide Traditional Name: 4-[3-(4-bromophenyl)-6-keto-pyridazin-1-yl]-N-(3-nitrophenyl)butyramide Formula: C20H17BrN4O4 MolecularWeight: 457.27738

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])NC(=O)CCCN2C(=O)C=CC(=N2)C3=CC=C(C=C3)Br

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])NC(=O)CCCN2C(=O)C=CC(=N2)C3=CC=C(C=C3)Br

InChI

InChI=1S/C20H17BrN4O4/c21-15-8-6-14(7-9-15)18-10-11-20(27)24(23-18)12-2-5-19(26)22-16-3-1-4-17(13-16)25(28)29/h1,3-4,6-11,13H,2,5,12H2,(H,22,26)