(4-butoxycarbonylphenyl) 3-methyl-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: (4-butoxycarbonylphenyl) 3-methyl-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: (4-butoxycarbonylphenyl) 3-methyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-methyl-4-oxo-1-phthalazinecarboxylic acid [4-[butoxy(oxo)methyl]phenyl] ester IUPAC Name: (4-butoxycarbonylphenyl) 3-methyl-4-oxophthalazine-1-carboxylate Traditional Name: 4-keto-3-methyl-phthalazine-1-carboxylic acid (4-butoxycarbonylphenyl) ester Formula: C21H20N2O5 MolecularWeight: 380.3939

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)OC(=O)C2=NN(C(=O)C3=CC=CC=C32)C

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)OC(=O)C2=NN(C(=O)C3=CC=CC=C32)C

InChI

InChI=1S/C21H20N2O5/c1-3-4-13-27-20(25)14-9-11-15(12-10-14)28-21(26)18-16-7-5-6-8-17(16)19(24)23(2)22-18/h5-12H,3-4,13H2,1-2H3