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

Systemtic Name: [2-[[2-[(2-ethylphenyl)amino]-2-oxidanylidene-ethyl]amino]-2-oxidanylidene-ethyl] 4-oxidanylidene-3H-phthalazine-1-carboxylate Openeye Name: [2-[[2-(2-ethylanilino)-2-oxo-ethyl]amino]-2-oxo-ethyl] 4-oxo-3H-phthalazine-1-carboxylate CAS Name: 4-oxo-3H-phthalazine-1-carboxylic acid [2-[[2-(2-ethylanilino)-2-oxoethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[2-(2-ethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 4-oxo-3H-phthalazine-1-carboxylate Traditional Name: 4-keto-3H-phthalazine-1-carboxylic acid [2-[[2-(2-ethylanilino)-2-keto-ethyl]amino]-2-keto-ethyl] ester Formula: C21H20N4O5 MolecularWeight: 408.4073

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)CNC(=O)COC(=O)C2=NNC(=O)C3=CC=CC=C32

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)CNC(=O)COC(=O)C2=NNC(=O)C3=CC=CC=C32

InChI

InChI=1S/C21H20N4O5/c1-2-13-7-3-6-10-16(13)23-17(26)11-22-18(27)12-30-21(29)19-14-8-4-5-9-15(14)20(28)25-24-19/h3-10H,2,11-12H2,1H3,(H,22,27)(H,23,26)(H,25,28)