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

Systemtic Name: N-[2-[6-(4-ethoxyphenyl)pyridazin-3-yl]oxyethyl]-4-methyl-3-nitro-benzamide Openeye Name: N-[2-[6-(4-ethoxyphenyl)pyridazin-3-yl]oxyethyl]-4-methyl-3-nitro-benzamide CAS Name: N-[2-[[6-(4-ethoxyphenyl)-3-pyridazinyl]oxy]ethyl]-4-methyl-3-nitrobenzamide IUPAC Name: N-[2-[6-(4-ethoxyphenyl)pyridazin-3-yl]oxyethyl]-4-methyl-3-nitrobenzamide Traditional Name: 4-methyl-3-nitro-N-[2-(6-p-phenetylpyridazin-3-yl)oxyethyl]benzamide Formula: C22H22N4O5 MolecularWeight: 422.43388

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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)C)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C22H22N4O5/c1-3-30-18-8-6-16(7-9-18)19-10-11-21(25-24-19)31-13-12-23-22(27)17-5-4-15(2)20(14-17)26(28)29/h4-11,14H,3,12-13H2,1-2H3,(H,23,27)