N-[2-[6-(4-ethoxyphenyl)pyridazin-3-yl]oxyethyl]-3,5-dinitro-benzamide

Systemtic Name: N-[2-[6-(4-ethoxyphenyl)pyridazin-3-yl]oxyethyl]-3,5-dinitro-benzamide Openeye Name: N-[2-[6-(4-ethoxyphenyl)pyridazin-3-yl]oxyethyl]-3,5-dinitro-benzamide CAS Name: N-[2-[[6-(4-ethoxyphenyl)-3-pyridazinyl]oxy]ethyl]-3,5-dinitrobenzamide IUPAC Name: N-[2-[6-(4-ethoxyphenyl)pyridazin-3-yl]oxyethyl]-3,5-dinitrobenzamide Traditional Name: 3,5-dinitro-N-[2-(6-p-phenetylpyridazin-3-yl)oxyethyl]benzamide Formula: C21H19N5O7 MolecularWeight: 453.40486

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19N5O7/c1-2-32-18-5-3-14(4-6-18)19-7-8-20(24-23-19)33-10-9-22-21(27)15-11-16(25(28)29)13-17(12-15)26(30)31/h3-8,11-13H,2,9-10H2,1H3,(H,22,27)