N-[[2-(1,3-benzodioxol-5-yl)-6-methoxy-imidazo[1,2-b]pyridazin-3-yl]methyl]-4-nitro-benzamide

Systemtic Name: N-[[2-(1,3-benzodioxol-5-yl)-6-methoxy-imidazo[1,2-b]pyridazin-3-yl]methyl]-4-nitro-benzamide Openeye Name: N-[[2-(1,3-benzodioxol-5-yl)-6-methoxy-imidazo[1,2-b]pyridazin-3-yl]methyl]-4-nitro-benzamide CAS Name: N-[[2-(1,3-benzodioxol-5-yl)-6-methoxy-3-imidazo[1,2-b]pyridazinyl]methyl]-4-nitrobenzamide IUPAC Name: N-[[2-(1,3-benzodioxol-5-yl)-6-methoxyimidazo[1,2-b]pyridazin-3-yl]methyl]-4-nitrobenzamide Traditional Name: N-[[2-(1,3-benzodioxol-5-yl)-6-methoxy-imidazo[1,2-b]pyridazin-3-yl]methyl]-4-nitro-benzamide Formula: C22H17N5O6 MolecularWeight: 447.40028

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NN2C(=NC(=C2CNC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C4=CC5=C(C=C4)OCO5)C=C1

Isomeric SMILES

COC1=NN2C(=NC(=C2CNC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C4=CC5=C(C=C4)OCO5)C=C1

InChI

InChI=1S/C22H17N5O6/c1-31-20-9-8-19-24-21(14-4-7-17-18(10-14)33-12-32-17)16(26(19)25-20)11-23-22(28)13-2-5-15(6-3-13)27(29)30/h2-10H,11-12H2,1H3,(H,23,28)