1,3-benzodioxol-5-yl 4-oxidanylidene-3-propyl-phthalazine-1-carboxylate

Systemtic Name: 1,3-benzodioxol-5-yl 4-oxidanylidene-3-propyl-phthalazine-1-carboxylate Openeye Name: 1,3-benzodioxol-5-yl 4-oxo-3-propyl-phthalazine-1-carboxylate CAS Name: 4-oxo-3-propyl-1-phthalazinecarboxylic acid 1,3-benzodioxol-5-yl ester IUPAC Name: 1,3-benzodioxol-5-yl 4-oxo-3-propylphthalazine-1-carboxylate Traditional Name: 4-keto-3-propyl-phthalazine-1-carboxylic acid 1,3-benzodioxol-5-yl ester Formula: C19H16N2O5 MolecularWeight: 352.34074

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C19H16N2O5/c1-2-9-21-18(22)14-6-4-3-5-13(14)17(20-21)19(23)26-12-7-8-15-16(10-12)25-11-24-15/h3-8,10H,2,9,11H2,1H3