[(2R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxidanylidene-propan-2-yl] 3-methyl-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: [(2R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxidanylidene-propan-2-yl] 3-methyl-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: [(1R)-2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-methyl-2-oxo-ethyl] 3-methyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-methyl-4-oxo-1-phthalazinecarboxylic acid [(2R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxopropan-2-yl] 3-methyl-4-oxophthalazine-1-carboxylate Traditional Name: 4-keto-3-methyl-phthalazine-1-carboxylic acid [(1R)-2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-keto-1-methyl-ethyl] ester Formula: C21H19N3O6 MolecularWeight: 409.39206

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=C(C=C1)OCCO2)OC(=O)C3=NN(C(=O)C4=CC=CC=C43)C

Isomeric SMILES

C[C@H](C(=O)NC1=CC2=C(C=C1)OCCO2)OC(=O)C3=NN(C(=O)C4=CC=CC=C43)C

InChI

InChI=1S/C21H19N3O6/c1-12(19(25)22-13-7-8-16-17(11-13)29-10-9-28-16)30-21(27)18-14-5-3-4-6-15(14)20(26)24(2)23-18/h3-8,11-12H,9-10H2,1-2H3,(H,22,25)/t12-/m1/s1