(6-nitro-4H-1,3-benzodioxin-8-yl)methyl 4-oxidanylidene-3-pentyl-phthalazine-1-carboxylate

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 4-oxidanylidene-3-pentyl-phthalazine-1-carboxylate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 4-oxo-3-pentyl-phthalazine-1-carboxylate CAS Name: 4-oxo-3-pentyl-1-phthalazinecarboxylic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 4-oxo-3-pentylphthalazine-1-carboxylate Traditional Name: 3-amyl-4-keto-phthalazine-1-carboxylic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C23H23N3O7 MolecularWeight: 453.44462

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4

Isomeric SMILES

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4

InChI

InChI=1S/C23H23N3O7/c1-2-3-6-9-25-22(27)19-8-5-4-7-18(19)20(24-25)23(28)32-13-16-11-17(26(29)30)10-15-12-31-14-33-21(15)16/h4-5,7-8,10-11H,2-3,6,9,12-14H2,1H3