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

Systemtic Name: 3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-4-oxidanylidene-phthalazine-1-carboxylic acid Openeye Name: 3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-4-oxo-phthalazine-1-carboxylic acid CAS Name: 3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-4-oxo-1-phthalazinecarboxylic acid IUPAC Name: 3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-4-oxophthalazine-1-carboxylic acid Traditional Name: 4-keto-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phthalazine-1-carboxylic acid Formula: C13H10N4O4 MolecularWeight: 286.2429

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=N1)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)O

Isomeric SMILES

CC1=NOC(=N1)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)O

InChI

InChI=1S/C13H10N4O4/c1-7-14-10(21-16-7)6-17-12(18)9-5-3-2-4-8(9)11(15-17)13(19)20/h2-5H,6H2,1H3,(H,19,20)