[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl 3-ethyl-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: [3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl 3-ethyl-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: [3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl 3-ethyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-ethyl-4-oxo-1-phthalazinecarboxylic acid [3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl ester IUPAC Name: [3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl 3-ethyl-4-oxophthalazine-1-carboxylate Traditional Name: 3-ethyl-4-keto-phthalazine-1-carboxylic acid [3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl ester Formula: C20H15BrN4O4 MolecularWeight: 455.2615

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC3=NC(=NO3)C4=CC(=CC=C4)Br

Isomeric SMILES

CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC3=NC(=NO3)C4=CC(=CC=C4)Br

InChI

InChI=1S/C20H15BrN4O4/c1-2-25-19(26)15-9-4-3-8-14(15)17(23-25)20(27)28-11-16-22-18(24-29-16)12-6-5-7-13(21)10-12/h3-10H,2,11H2,1H3