[1-[(4-bromophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-ethyl-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: [1-[(4-bromophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-ethyl-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: [2-(4-bromoanilino)-1-methyl-2-oxo-ethyl] 3-ethyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-ethyl-4-oxo-1-phthalazinecarboxylic acid [1-(4-bromoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-bromoanilino)-1-oxopropan-2-yl] 3-ethyl-4-oxophthalazine-1-carboxylate Traditional Name: 3-ethyl-4-keto-phthalazine-1-carboxylic acid [2-(4-bromoanilino)-2-keto-1-methyl-ethyl] ester Formula: C20H18BrN3O4 MolecularWeight: 444.27862

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OC(C)C(=O)NC3=CC=C(C=C3)Br

Isomeric SMILES

CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OC(C)C(=O)NC3=CC=C(C=C3)Br

InChI

InChI=1S/C20H18BrN3O4/c1-3-24-19(26)16-7-5-4-6-15(16)17(23-24)20(27)28-12(2)18(25)22-14-10-8-13(21)9-11-14/h4-12H,3H2,1-2H3,(H,22,25)