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

Systemtic Name: 3-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]-4-oxidanylidene-phthalazine-1-carboxylic acid Openeye Name: 3-[[3-(4-chlorophenyl)isoxazol-5-yl]methyl]-4-oxo-phthalazine-1-carboxylic acid CAS Name: 3-[[3-(4-chlorophenyl)-5-isoxazolyl]methyl]-4-oxo-1-phthalazinecarboxylic acid IUPAC Name: 3-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]-4-oxophthalazine-1-carboxylic acid Traditional Name: 3-[[3-(4-chlorophenyl)isoxazol-5-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=CC(=NO3)C4=CC=C(C=C4)Cl)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=NN(C2=O)CC3=CC(=NO3)C4=CC=C(C=C4)Cl)C(=O)O

InChI

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