[2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 2-(4-oxidanylidene-3H-phthalazin-1-yl)ethanoate

Systemtic Name: [2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 2-(4-oxidanylidene-3H-phthalazin-1-yl)ethanoate Openeye Name: [2-(3,5-dimethylanilino)-2-oxo-ethyl] 2-(4-oxo-3H-phthalazin-1-yl)acetate CAS Name: 2-(4-oxo-3H-phthalazin-1-yl)acetic acid [2-(3,5-dimethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3,5-dimethylanilino)-2-oxoethyl] 2-(4-oxo-3H-phthalazin-1-yl)acetate Traditional Name: 2-(4-keto-3H-phthalazin-1-yl)acetic acid [2-(3,5-dimethylanilino)-2-keto-ethyl] ester Formula: C20H19N3O4 MolecularWeight: 365.38256

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19N3O4/c1-12-7-13(2)9-14(8-12)21-18(24)11-27-19(25)10-17-15-5-3-4-6-16(15)20(26)23-22-17/h3-9H,10-11H2,1-2H3,(H,21,24)(H,23,26)