4-chloranyl-N-[2-[6-(4-ethoxyphenyl)pyridazin-3-yl]oxyethyl]-3-nitro-benzamide

Systemtic Name: 4-chloranyl-N-[2-[6-(4-ethoxyphenyl)pyridazin-3-yl]oxyethyl]-3-nitro-benzamide Openeye Name: 4-chloro-N-[2-[6-(4-ethoxyphenyl)pyridazin-3-yl]oxyethyl]-3-nitro-benzamide CAS Name: 4-chloro-N-[2-[[6-(4-ethoxyphenyl)-3-pyridazinyl]oxy]ethyl]-3-nitrobenzamide IUPAC Name: 4-chloro-N-[2-[6-(4-ethoxyphenyl)pyridazin-3-yl]oxyethyl]-3-nitrobenzamide Traditional Name: 4-chloro-3-nitro-N-[2-(6-p-phenetylpyridazin-3-yl)oxyethyl]benzamide Formula: C21H19ClN4O5 MolecularWeight: 442.85236

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NN=C(C=C2)OCCNC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NN=C(C=C2)OCCNC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C21H19ClN4O5/c1-2-30-16-6-3-14(4-7-16)18-9-10-20(25-24-18)31-12-11-23-21(27)15-5-8-17(22)19(13-15)26(28)29/h3-10,13H,2,11-12H2,1H3,(H,23,27)