3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: 3-[(3,5-dimethylisoxazol-4-yl)methyl]-4-oxo-phthalazine-1-carboxylate CAS Name: 3-[(3,5-dimethyl-4-isoxazolyl)methyl]-4-oxo-1-phthalazinecarboxylate IUPAC Name: 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-oxophthalazine-1-carboxylate Traditional Name: 3-[(3,5-dimethylisoxazol-4-yl)methyl]-4-keto-phthalazine-1-carboxylate Formula: C15H12N3O4- MolecularWeight: 298.27348

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)[O-]

Isomeric SMILES

CC1=C(C(=NO1)C)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)[O-]

InChI

InChI=1S/C15H13N3O4/c1-8-12(9(2)22-17-8)7-18-14(19)11-6-4-3-5-10(11)13(16-18)15(20)21/h3-6H,7H2,1-2H3,(H,20,21)/p-1