2-[(6-azanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-1H-pyridazine-3,6-dione

Systemtic Name: 2-[(6-azanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-1H-pyridazine-3,6-dione Openeye Name: 2-[(6-amino-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-1H-pyridazine-3,6-dione CAS Name: 2-[(6-amino-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-1H-pyridazine-3,6-dione IUPAC Name: 2-[(6-amino-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-1H-pyridazine-3,6-dione Traditional Name: 2-[(6-amino-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-1H-pyridazine-3,6-quinone Formula: C13H13N3O4 MolecularWeight: 275.26002

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=C(C(=C2)N)CN3C(=O)C=CC(=O)N3

Isomeric SMILES

C1COC2=C(O1)C=C(C(=C2)N)CN3C(=O)C=CC(=O)N3

InChI

InChI=1S/C13H13N3O4/c14-9-6-11-10(19-3-4-20-11)5-8(9)7-16-13(18)2-1-12(17)15-16/h1-2,5-6H,3-4,7,14H2,(H,15,17)