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

Systemtic Name: N-[4-(6-morpholin-4-ylpyridazin-3-yl)phenyl]-3,5-dinitro-benzamide Openeye Name: N-[4-(6-morpholinopyridazin-3-yl)phenyl]-3,5-dinitro-benzamide CAS Name: N-[4-[6-(4-morpholinyl)-3-pyridazinyl]phenyl]-3,5-dinitrobenzamide IUPAC Name: N-[4-(6-morpholin-4-ylpyridazin-3-yl)phenyl]-3,5-dinitrobenzamide Traditional Name: N-[4-(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=C(C=C3)NC(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1COCCN1C2=NN=C(C=C2)C3=CC=C(C=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)22-16-3-1-14(2-4-16)19-5-6-20(24-23-19)25-7-9-33-10-8-25/h1-6,11-13H,7-10H2,(H,22,28)