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

Systemtic Name: 3-[(3-methyl-1,2-oxazol-5-yl)methyl]-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: 3-[(3-methylisoxazol-5-yl)methyl]-4-oxo-phthalazine-1-carboxylate CAS Name: 3-[(3-methyl-5-isoxazolyl)methyl]-4-oxo-1-phthalazinecarboxylate IUPAC Name: 3-[(3-methyl-1,2-oxazol-5-yl)methyl]-4-oxophthalazine-1-carboxylate Traditional Name: 4-keto-3-[(3-methylisoxazol-5-yl)methyl]phthalazine-1-carboxylate Formula: C14H10N3O4- MolecularWeight: 284.2469

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=C1)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)[O-]

Isomeric SMILES

CC1=NOC(=C1)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)[O-]

InChI

InChI=1S/C14H11N3O4/c1-8-6-9(21-16-8)7-17-13(18)11-5-3-2-4-10(11)12(15-17)14(19)20/h2-6H,7H2,1H3,(H,19,20)/p-1