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

Systemtic Name: N-[2-[6-(4-methoxyphenyl)pyridazin-3-yl]oxyethyl]-3,5-dinitro-benzamide Openeye Name: N-[2-[6-(4-methoxyphenyl)pyridazin-3-yl]oxyethyl]-3,5-dinitro-benzamide CAS Name: N-[2-[[6-(4-methoxyphenyl)-3-pyridazinyl]oxy]ethyl]-3,5-dinitrobenzamide IUPAC Name: N-[2-[6-(4-methoxyphenyl)pyridazin-3-yl]oxyethyl]-3,5-dinitrobenzamide Traditional Name: N-[2-[6-(4-methoxyphenyl)pyridazin-3-yl]oxyethyl]-3,5-dinitro-benzamide Formula: C20H17N5O7 MolecularWeight: 439.37828

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN=C(C=C2)OCCNC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN=C(C=C2)OCCNC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C20H17N5O7/c1-31-17-4-2-13(3-5-17)18-6-7-19(23-22-18)32-9-8-21-20(26)14-10-15(24(27)28)12-16(11-14)25(29)30/h2-7,10-12H,8-9H2,1H3,(H,21,26)