N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]-3,5-dinitro-benzamide

Systemtic Name: N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]-3,5-dinitro-benzamide Openeye Name: N-[3-(6-morpholinopyridazin-3-yl)phenyl]-3,5-dinitro-benzamide CAS Name: N-[3-[6-(4-morpholinyl)-3-pyridazinyl]phenyl]-3,5-dinitrobenzamide IUPAC Name: N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]-3,5-dinitrobenzamide Traditional Name: N-[3-(6-morpholinopyridazin-3-yl)phenyl]-3,5-dinitro-benzamide Formula: C21H18N6O6 MolecularWeight: 450.40422

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=NN=C(C=C2)C3=CC(=CC=C3)NC(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1COCCN1C2=NN=C(C=C2)C3=CC(=CC=C3)NC(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C21H18N6O6/c28-21(15-11-17(26(29)30)13-18(12-15)27(31)32)22-16-3-1-2-14(10-16)19-4-5-20(24-23-19)25-6-8-33-9-7-25/h1-5,10-13H,6-9H2,(H,22,28)