4-[3-(4-bromophenyl)-6-oxidanylidene-pyridazin-1-yl]-N-(2-nitrophenyl)butanamide

Systemtic Name: 4-[3-(4-bromophenyl)-6-oxidanylidene-pyridazin-1-yl]-N-(2-nitrophenyl)butanamide Openeye Name: 4-[3-(4-bromophenyl)-6-oxo-pyridazin-1-yl]-N-(2-nitrophenyl)butanamide CAS Name: 4-[3-(4-bromophenyl)-6-oxo-1-pyridazinyl]-N-(2-nitrophenyl)butanamide IUPAC Name: 4-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]-N-(2-nitrophenyl)butanamide Traditional Name: 4-[3-(4-bromophenyl)-6-keto-pyridazin-1-yl]-N-(2-nitrophenyl)butyramide Formula: C20H17BrN4O4 MolecularWeight: 457.27738

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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