N-[2-[3-(4-methoxyphenyl)-6-oxidanylidene-pyridazin-1-yl]ethyl]-3,5-dinitro-benzamide

Systemtic Name: N-[2-[3-(4-methoxyphenyl)-6-oxidanylidene-pyridazin-1-yl]ethyl]-3,5-dinitro-benzamide Openeye Name: N-[2-[3-(4-methoxyphenyl)-6-oxo-pyridazin-1-yl]ethyl]-3,5-dinitro-benzamide CAS Name: N-[2-[3-(4-methoxyphenyl)-6-oxo-1-pyridazinyl]ethyl]-3,5-dinitrobenzamide IUPAC Name: N-[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-3,5-dinitrobenzamide Traditional Name: N-[2-[6-keto-3-(4-methoxyphenyl)pyridazin-1-yl]ethyl]-3,5-dinitro-benzamide Formula: C20H17N5O7 MolecularWeight: 439.37828

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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