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

Systemtic Name: 3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-4-oxidanylidene-phthalazine-1-carboxylic acid Openeye Name: 3-[(5-methyl-2-phenyl-oxazol-4-yl)methyl]-4-oxo-phthalazine-1-carboxylic acid CAS Name: 3-[(5-methyl-2-phenyl-4-oxazolyl)methyl]-4-oxo-1-phthalazinecarboxylic acid IUPAC Name: 3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-4-oxophthalazine-1-carboxylic acid Traditional Name: 4-keto-3-[(5-methyl-2-phenyl-oxazol-4-yl)methyl]phthalazine-1-carboxylic acid Formula: C20H15N3O4 MolecularWeight: 361.3508

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(O1)C2=CC=CC=C2)CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)O

Isomeric SMILES

CC1=C(N=C(O1)C2=CC=CC=C2)CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)O

InChI

InChI=1S/C20H15N3O4/c1-12-16(21-18(27-12)13-7-3-2-4-8-13)11-23-19(24)15-10-6-5-9-14(15)17(22-23)20(25)26/h2-10H,11H2,1H3,(H,25,26)