5-chloranyl-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]-2-nitro-benzamide

Systemtic Name: 5-chloranyl-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]-2-nitro-benzamide Openeye Name: 5-chloro-N-[3-(6-morpholinopyridazin-3-yl)phenyl]-2-nitro-benzamide CAS Name: 5-chloro-N-[3-[6-(4-morpholinyl)-3-pyridazinyl]phenyl]-2-nitrobenzamide IUPAC Name: 5-chloro-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]-2-nitrobenzamide Traditional Name: 5-chloro-N-[3-(6-morpholinopyridazin-3-yl)phenyl]-2-nitro-benzamide Formula: C21H18ClN5O4 MolecularWeight: 439.85172

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18ClN5O4/c22-15-4-6-19(27(29)30)17(13-15)21(28)23-16-3-1-2-14(12-16)18-5-7-20(25-24-18)26-8-10-31-11-9-26/h1-7,12-13H,8-11H2,(H,23,28)