(6-nitro-4H-1,3-benzodioxin-8-yl)methyl 6-oxidanylidene-4,5-dihydro-1H-pyridazine-3-carboxylate

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 6-oxidanylidene-4,5-dihydro-1H-pyridazine-3-carboxylate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate CAS Name: 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate Traditional Name: 6-keto-4,5-dihydro-1H-pyridazine-3-carboxylic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C14H13N3O7 MolecularWeight: 335.26892

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)NN=C1C(=O)OCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3

Isomeric SMILES

C1CC(=O)NN=C1C(=O)OCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3

InChI

InChI=1S/C14H13N3O7/c18-12-2-1-11(15-16-12)14(19)23-6-9-4-10(17(20)21)3-8-5-22-7-24-13(8)9/h3-4H,1-2,5-7H2,(H,16,18)