[1-[(2,4-dimethylphenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(4-oxidanylidene-3H-phthalazin-1-yl)ethanoate

Systemtic Name: [1-[(2,4-dimethylphenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(4-oxidanylidene-3H-phthalazin-1-yl)ethanoate Openeye Name: [2-(2,4-dimethylanilino)-1-methyl-2-oxo-ethyl] 2-(4-oxo-3H-phthalazin-1-yl)acetate CAS Name: 2-(4-oxo-3H-phthalazin-1-yl)acetic acid [1-(2,4-dimethylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2,4-dimethylanilino)-1-oxopropan-2-yl] 2-(4-oxo-3H-phthalazin-1-yl)acetate Traditional Name: 2-(4-keto-3H-phthalazin-1-yl)acetic acid [2-(2,4-dimethylanilino)-2-keto-1-methyl-ethyl] ester Formula: C21H21N3O4 MolecularWeight: 379.40914

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C(C)OC(=O)CC2=NNC(=O)C3=CC=CC=C32)C

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C(C)OC(=O)CC2=NNC(=O)C3=CC=CC=C32)C

InChI

InChI=1S/C21H21N3O4/c1-12-8-9-17(13(2)10-12)22-20(26)14(3)28-19(25)11-18-15-6-4-5-7-16(15)21(27)24-23-18/h4-10,14H,11H2,1-3H3,(H,22,26)(H,24,27)