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

Systemtic Name: 1,3-benzodioxol-5-yl 3-butyl-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: 1,3-benzodioxol-5-yl 3-butyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-butyl-4-oxo-1-phthalazinecarboxylic acid 1,3-benzodioxol-5-yl ester IUPAC Name: 1,3-benzodioxol-5-yl 3-butyl-4-oxophthalazine-1-carboxylate Traditional Name: 3-butyl-4-keto-phthalazine-1-carboxylic acid 1,3-benzodioxol-5-yl ester Formula: C20H18N2O5 MolecularWeight: 366.36732

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H18N2O5/c1-2-3-10-22-19(23)15-7-5-4-6-14(15)18(21-22)20(24)27-13-8-9-16-17(11-13)26-12-25-16/h4-9,11H,2-3,10,12H2,1H3