butyl 4-[(4-oxidanylidene-3H-phthalazin-1-yl)carbonylamino]benzoate

Systemtic Name: butyl 4-[(4-oxidanylidene-3H-phthalazin-1-yl)carbonylamino]benzoate Openeye Name: butyl 4-[(4-oxo-3H-phthalazine-1-carbonyl)amino]benzoate CAS Name: 4-[[oxo-(4-oxo-3H-phthalazin-1-yl)methyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[(4-oxo-3H-phthalazine-1-carbonyl)amino]benzoate Traditional Name: 4-[(4-keto-3H-phthalazine-1-carbonyl)amino]benzoic acid butyl ester Formula: C20H19N3O4 MolecularWeight: 365.38256

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C2=NNC(=O)C3=CC=CC=C32

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C2=NNC(=O)C3=CC=CC=C32

InChI

InChI=1S/C20H19N3O4/c1-2-3-12-27-20(26)13-8-10-14(11-9-13)21-19(25)17-15-6-4-5-7-16(15)18(24)23-22-17/h4-11H,2-3,12H2,1H3,(H,21,25)(H,23,24)