[1-(furan-2-ylmethylamino)-1-oxidanylidene-propan-2-yl] 3-methyl-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: [1-(furan-2-ylmethylamino)-1-oxidanylidene-propan-2-yl] 3-methyl-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: [2-(2-furylmethylamino)-1-methyl-2-oxo-ethyl] 3-methyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-methyl-4-oxo-1-phthalazinecarboxylic acid [1-(2-furanylmethylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 3-methyl-4-oxophthalazine-1-carboxylate Traditional Name: 4-keto-3-methyl-phthalazine-1-carboxylic acid [2-(2-furfurylamino)-2-keto-1-methyl-ethyl] ester Formula: C18H17N3O5 MolecularWeight: 355.34468

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=CO1)OC(=O)C2=NN(C(=O)C3=CC=CC=C32)C

Isomeric SMILES

CC(C(=O)NCC1=CC=CO1)OC(=O)C2=NN(C(=O)C3=CC=CC=C32)C

InChI

InChI=1S/C18H17N3O5/c1-11(16(22)19-10-12-6-5-9-25-12)26-18(24)15-13-7-3-4-8-14(13)17(23)21(2)20-15/h3-9,11H,10H2,1-2H3,(H,19,22)