[2-[(2-ethoxyphenyl)amino]-2-oxidanylidene-ethyl] 3-ethyl-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: [2-[(2-ethoxyphenyl)amino]-2-oxidanylidene-ethyl] 3-ethyl-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: [2-(2-ethoxyanilino)-2-oxo-ethyl] 3-ethyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-ethyl-4-oxo-1-phthalazinecarboxylic acid [2-(2-ethoxyanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-ethoxyanilino)-2-oxoethyl] 3-ethyl-4-oxophthalazine-1-carboxylate Traditional Name: 3-ethyl-4-keto-phthalazine-1-carboxylic acid [2-keto-2-(o-phenetidino)ethyl] ester Formula: C21H21N3O5 MolecularWeight: 395.40854

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC(=O)NC3=CC=CC=C3OCC

Isomeric SMILES

CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC(=O)NC3=CC=CC=C3OCC

InChI

InChI=1S/C21H21N3O5/c1-3-24-20(26)15-10-6-5-9-14(15)19(23-24)21(27)29-13-18(25)22-16-11-7-8-12-17(16)28-4-2/h5-12H,3-4,13H2,1-2H3,(H,22,25)