6-(1,3-benzodioxol-5-yl)-2-[(4-nitrophenyl)methyl]pyridazin-3-one

Systemtic Name: 6-(1,3-benzodioxol-5-yl)-2-[(4-nitrophenyl)methyl]pyridazin-3-one Openeye Name: 6-(1,3-benzodioxol-5-yl)-2-[(4-nitrophenyl)methyl]pyridazin-3-one CAS Name: 6-(1,3-benzodioxol-5-yl)-2-[(4-nitrophenyl)methyl]-3-pyridazinone IUPAC Name: 6-(1,3-benzodioxol-5-yl)-2-[(4-nitrophenyl)methyl]pyridazin-3-one Traditional Name: 6-(1,3-benzodioxol-5-yl)-2-(4-nitrobenzyl)pyridazin-3-one Formula: C18H13N3O5 MolecularWeight: 351.31292

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=NN(C(=O)C=C3)CC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=NN(C(=O)C=C3)CC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C18H13N3O5/c22-18-8-6-15(13-3-7-16-17(9-13)26-11-25-16)19-20(18)10-12-1-4-14(5-2-12)21(23)24/h1-9H,10-11H2