4-[3-(4-bromophenyl)-6-oxidanylidene-pyridazin-1-yl]-N-(2-methoxy-5-nitro-phenyl)butanamide

Systemtic Name: 4-[3-(4-bromophenyl)-6-oxidanylidene-pyridazin-1-yl]-N-(2-methoxy-5-nitro-phenyl)butanamide Openeye Name: 4-[3-(4-bromophenyl)-6-oxo-pyridazin-1-yl]-N-(2-methoxy-5-nitro-phenyl)butanamide CAS Name: 4-[3-(4-bromophenyl)-6-oxo-1-pyridazinyl]-N-(2-methoxy-5-nitrophenyl)butanamide IUPAC Name: 4-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]-N-(2-methoxy-5-nitrophenyl)butanamide Traditional Name: 4-[3-(4-bromophenyl)-6-keto-pyridazin-1-yl]-N-(2-methoxy-5-nitro-phenyl)butyramide Formula: C21H19BrN4O5 MolecularWeight: 487.30336

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CCCN2C(=O)C=CC(=N2)C3=CC=C(C=C3)Br

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CCCN2C(=O)C=CC(=N2)C3=CC=C(C=C3)Br

InChI

InChI=1S/C21H19BrN4O5/c1-31-19-10-8-16(26(29)30)13-18(19)23-20(27)3-2-12-25-21(28)11-9-17(24-25)14-4-6-15(22)7-5-14/h4-11,13H,2-3,12H2,1H3,(H,23,27)