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

Systemtic Name: 3-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methyl]-4-oxidanylidene-phthalazine-1-carboxylic acid Openeye Name: 3-[[5-(3-chlorophenyl)oxazol-2-yl]methyl]-4-oxo-phthalazine-1-carboxylic acid CAS Name: 3-[[5-(3-chlorophenyl)-2-oxazolyl]methyl]-4-oxo-1-phthalazinecarboxylic acid IUPAC Name: 3-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methyl]-4-oxophthalazine-1-carboxylic acid Traditional Name: 3-[[5-(3-chlorophenyl)oxazol-2-yl]methyl]-4-keto-phthalazine-1-carboxylic acid Formula: C19H12ClN3O4 MolecularWeight: 381.76928

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NN(C2=O)CC3=NC=C(O3)C4=CC(=CC=C4)Cl)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=NN(C2=O)CC3=NC=C(O3)C4=CC(=CC=C4)Cl)C(=O)O

InChI

InChI=1S/C19H12ClN3O4/c20-12-5-3-4-11(8-12)15-9-21-16(27-15)10-23-18(24)14-7-2-1-6-13(14)17(22-23)19(25)26/h1-9H,10H2,(H,25,26)