6-(3,4-dimethoxyphenyl)-2-[(2,4-dinitrophenyl)methyl]-5-ethyl-4,5-dihydropyridazin-3-one

Systemtic Name: 6-(3,4-dimethoxyphenyl)-2-[(2,4-dinitrophenyl)methyl]-5-ethyl-4,5-dihydropyridazin-3-one Openeye Name: 6-(3,4-dimethoxyphenyl)-2-[(2,4-dinitrophenyl)methyl]-5-ethyl-4,5-dihydropyridazin-3-one CAS Name: 6-(3,4-dimethoxyphenyl)-2-[(2,4-dinitrophenyl)methyl]-5-ethyl-4,5-dihydropyridazin-3-one IUPAC Name: 6-(3,4-dimethoxyphenyl)-2-[(2,4-dinitrophenyl)methyl]-5-ethyl-4,5-dihydropyridazin-3-one Traditional Name: 6-(3,4-dimethoxyphenyl)-2-(2,4-dinitrobenzyl)-5-ethyl-4,5-dihydropyridazin-3-one Formula: C21H22N4O7 MolecularWeight: 442.42198

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1CC(=O)N(N=C1C2=CC(=C(C=C2)OC)OC)CC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCC1CC(=O)N(N=C1C2=CC(=C(C=C2)OC)OC)CC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C21H22N4O7/c1-4-13-10-20(26)23(12-15-5-7-16(24(27)28)11-17(15)25(29)30)22-21(13)14-6-8-18(31-2)19(9-14)32-3/h5-9,11,13H,4,10,12H2,1-3H3