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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NNC2=O)C(=O)OCC3=CC(=NO3)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=NNC2=O)C(=O)OCC3=CC(=NO3)C4=CC=C(C=C4)Cl

InChI

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