[2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxidanylidene-ethyl] 4-oxidanylidene-3H-phthalazine-1-carboxylate

Systemtic Name: [2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxidanylidene-ethyl] 4-oxidanylidene-3H-phthalazine-1-carboxylate Openeye Name: [2-oxo-2-[[3-(p-tolyl)isoxazol-5-yl]amino]ethyl] 4-oxo-3H-phthalazine-1-carboxylate CAS Name: 4-oxo-3H-phthalazine-1-carboxylic acid [2-[[3-(4-methylphenyl)-5-isoxazolyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl] 4-oxo-3H-phthalazine-1-carboxylate Traditional Name: 4-keto-3H-phthalazine-1-carboxylic acid [2-keto-2-[[3-(p-tolyl)isoxazol-5-yl]amino]ethyl] ester Formula: C21H16N4O5 MolecularWeight: 404.37554

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NOC(=C2)NC(=O)COC(=O)C3=NNC(=O)C4=CC=CC=C43

Isomeric SMILES

CC1=CC=C(C=C1)C2=NOC(=C2)NC(=O)COC(=O)C3=NNC(=O)C4=CC=CC=C43

InChI

InChI=1S/C21H16N4O5/c1-12-6-8-13(9-7-12)16-10-18(30-25-16)22-17(26)11-29-21(28)19-14-4-2-3-5-15(14)20(27)24-23-19/h2-10H,11H2,1H3,(H,22,26)(H,24,27)