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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(NC2=O)C(=O)OCC3=NC(=NO3)C4=CC(=CC=C4)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C=C(NC2=O)C(=O)OCC3=NC(=NO3)C4=CC(=CC=C4)Cl

InChI

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